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

C11H9N3O2 — CID 83704376

IUPAC3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2onc(N)c2C#N)cc1
InChIInChI=1S/C11H9N3O2/c1-15-8-4-2-7(3-5-8)10-9(6-12)11(13)14-16-10/h2-5H,1H3,(H2,13,14)
InChIKeySQBIIRPNLOJLRS-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.80
Rot. Bonds2

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

3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile (PubChem CID 83704376) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
PubChem CID83704376
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile
SMILESCOc1ccc(-c2onc(N)c2C#N)cc1
InChIInChI=1S/C11H9N3O2/c1-15-8-4-2-7(3-5-8)10-9(6-12)11(13)14-16-10/h2-5H,1H3,(H2,13,14)
InChIKeySQBIIRPNLOJLRS-UHFFFAOYSA-N
XLogP1.80
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-amino-5-(4-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

Related Compounds

4-chloro-5-(4-methoxyphenyl)-1,2-oxazole-3-carbonitrile
CID 82373262
2-amino-6-(4-methoxyphenyl)pyridine-3,4,5-tricarbonitrile
CID 12736666
4-amino-6-(4-methoxyphenyl)-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11572440
2-amino-6-[4-(4-methoxyphenoxy)phenyl]pyridine-3,4,5-tricarbonitrile
CID 1488060
4-(2-fluorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66200762
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
2-amino-4-(4-methoxyphenyl)furan-3-carbonitrile
CID 69209744
4-(4-methoxyphenyl)-5-(2-methyl-4-pyridinyl)-1,2-oxazol-3-amine
CID 106754464
4-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198897
3-amino-5-(5-bromothiophen-2-yl)-1,2-oxazole-4-carbonitrile
CID 83743341
2-amino-6-tert-butyl-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 17384299
3-amino-1-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonitrile
CID 23823826

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile (CID 83704376) is 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile is COc1ccc(-c2onc(N)c2C#N)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
The InChIKey is SQBIIRPNLOJLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2/c1-15-8-4-2-7(3-5-8)10-9(6-12)11(13)14-16-10/h2-5H,1H3,(H2,13,14).
What are the key properties of 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile?
3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile has a molecular weight of 215.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 83704376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).