5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile

C11H9N3O3 — CID 137310047

IUPAC5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCOc1cccc(-c2noc(N)c2C#N)c1O
InChIInChI=1S/C11H9N3O3/c1-16-8-4-2-3-6(10(8)15)9-7(5-12)11(13)17-14-9/h2-4,15H,13H2,1H3
InChIKeyYWFTUUUKGSMBJD-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.51
Rot. Bonds2

About 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile

5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 137310047) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile
PubChem CID137310047
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCOc1cccc(-c2noc(N)c2C#N)c1O
InChIInChI=1S/C11H9N3O3/c1-16-8-4-2-3-6(10(8)15)9-7(5-12)11(13)17-14-9/h2-4,15H,13H2,1H3
InChIKeyYWFTUUUKGSMBJD-UHFFFAOYSA-N
XLogP1.51
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile (CID 137310047) is 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile is COc1cccc(-c2noc(N)c2C#N)c1O.
What is the InChIKey of 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is YWFTUUUKGSMBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c1-16-8-4-2-3-6(10(8)15)9-7(5-12)11(13)17-14-9/h2-4,15H,13H2,1H3.
What are the key properties of 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 231.21 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 137310047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).