Details of the Drug

General Information of Drug (ID: DM8109D)

• Drug Name: Oxazolidin-(2Z)-ylideneamine
• Synonyms: 24665-93-8; amino oxazoline; 1,3-oxazolidin-2-imine; 4,5-dihydrooxazol-2-amine; Oxazolidin-(2Z)-ylideneamine; 2-oxazolamine, 4,5-dihydro-; 4,5-dihydro-1,3-oxazol-2-amine; CHEMBL69446; aminooxazoline; iminooxazolidine; NSC43138; 2-amino-2-oxazoline; AC1Q4UHD; AC1L61HW; 2-amino-4,5-dihydrooxazole; 2-Oxazolamine,4,5-dihydro-; CTK4F4142; DTXSID50285885; MolPort-023-198-771; YAXGBZDYGZBRBQ-UHFFFAOYSA-N; MolPort-006-013-450; BDBM50078037; NSC-43138; ZINC13588690; AKOS006221228; AKOS009159127; NE22687; MCULE-9912511107; AJ-64218; AJ-64217

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 86.09
  Logarithm of the Partition Coefficient (xlogp); -0.8
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C3H6N2O
  IUPAC Name: 4,5-dihydro-1,3-oxazol-2-amine
  Canonical SMILES: C1COC(=N1)N
  InChI: InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
  InChIKey: YAXGBZDYGZBRBQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 238663
  CAS Number: 24665-93-8
  TTD ID: D07FVL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] 4,5-Disubstituted-1,3-oxazolidin-2-imine derivatives: a new class of orally bioavailable nitric oxide synthase inhibitor. Bioorg Med Chem Lett. 2004 Jan 19;14(2):313-6.