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

C12H11N3O2 — CID 20983356

IUPAC5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCCOc1cccc(-c2noc(N)c2C#N)c1
InChIInChI=1S/C12H11N3O2/c1-2-16-9-5-3-4-8(6-9)11-10(7-13)12(14)17-15-11/h3-6H,2,14H2,1H3
InChIKeyXXSFOAUEPBRNPE-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.19
Rot. Bonds3

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

5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 20983356) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile
PubChem CID20983356
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCCOc1cccc(-c2noc(N)c2C#N)c1
InChIInChI=1S/C12H11N3O2/c1-2-16-9-5-3-4-8(6-9)11-10(7-13)12(14)17-15-11/h3-6H,2,14H2,1H3
InChIKeyXXSFOAUEPBRNPE-UHFFFAOYSA-N
XLogP2.19
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-amino-3-(3-ethoxyphenyl)-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

Related Compounds

5-amino-3-(3,5-diethoxyphenyl)-1,2-oxazole-4-carbonitrile
CID 20983363
5-amino-3-(3-chlorophenyl)-1,2-oxazole-4-carbonitrile
CID 20983351
[3-(3-ethoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 82128981
5-chloro-3-(3-ethoxyphenyl)-1,2,4-oxadiazole
CID 60984808
5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitrile
CID 3236239
4-(3-ethoxyphenyl)imidazole-1,5-diamine
CID 62482761
2-(3-ethoxyphenyl)aniline
CID 57482711
2-(3-ethoxyphenyl)-6-ethylpyrimidin-4-amine
CID 62192979
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
1-amino-1-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 43519296
[2-(3-ethoxyphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746307
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile (CID 20983356) is 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile is CCOc1cccc(-c2noc(N)c2C#N)c1.
What is the InChIKey of 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is XXSFOAUEPBRNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-2-16-9-5-3-4-8(6-9)11-10(7-13)12(14)17-15-11/h3-6H,2,14H2,1H3.
What are the key properties of 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile?
5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-ethoxyphenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 20983356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).