Details of the Drug

General Information of Drug (ID: DMKUM4L)

Drug Name

3-methoxy-4-(oxazol-5-yl)aniline

Synonyms

3-methoxy-4-(oxazol-5-yl)aniline; 198821-79-3; 3-METHOXY-4-(1,3-OXAZOL-5-YL)ANILINE; Benzenamine, 3-methoxy-4-(5-oxazolyl)-; 3-methoxy-4-(5-oxazolyl)aniline; CHEMBL45870; 5-(4-amino-2-methoxyphenyl)oxazole; AK116113; A1-00139; SCHEMBL1353846; CTK4E2632; KS-00000NNJ; DTXSID80572997; MolPort-006-666-066; KYCMMXMEXWSPCV-UHFFFAOYSA-N; ZINC2518269; FCH848314; 3-methoxy-4-(oxazol-5-yl) aniline; BDBM50127715; 3-Methoxy-4-oxazol-5-yl-phenylamine; AKOS006278384; CS-W005501; MP-1879; DS-2798; 3-methoxy-4-(oxazol-5-yl)benzenamine; AJ-37081

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

190.2

Logarithm of the Partition Coefficient (xlogp)

1.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C10H10N2O2
IUPAC Name: 3-methoxy-4-(1,3-oxazol-5-yl)aniline
Canonical SMILES: COC1=C(C=CC(=C1)N)C2=CN=CO2
InChI: InChI=1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
InChIKey: KYCMMXMEXWSPCV-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 15462732
CAS Number: 198821-79-3
TTD ID: D0L0ZP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Inosine-5'-monophosphate dehydrogenase 2 (IMPDH2)	TTTB4UP	IMDH2_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Low molecular weight indole fragments as IMPDH inhibitors. Bioorg Med Chem Lett. 2006 May 1;16(9):2535-8.