5-amino-3-phenyl-1,2-oxazole-4-carbonitrile

C10H7N3O — CID 13449567

IUPAC5-amino-3-phenyl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)noc1N
InChIInChI=1S/C10H7N3O/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,12H2
InChIKeyBQNWRJWQLYUVKN-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.80
Rot. Bonds1

About 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile

5-amino-3-phenyl-1,2-oxazole-4-carbonitrile (PubChem CID 13449567) has the molecular formula C10H7N3O and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-phenyl-1,2-oxazole-4-carbonitrile
PubChem CID13449567
Molecular FormulaC10H7N3O
Molecular Weight185.19 g/mol
Exact Mass185.06
IUPAC Name5-amino-3-phenyl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1c(-c2ccccc2)noc1N
InChIInChI=1S/C10H7N3O/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,12H2
InChIKeyBQNWRJWQLYUVKN-UHFFFAOYSA-N
XLogP1.80
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile (CID 13449567) is 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile is N#Cc1c(-c2ccccc2)noc1N.
What is the InChIKey of 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile?
The InChIKey is BQNWRJWQLYUVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O/c11-6-8-9(13-14-10(8)12)7-4-2-1-3-5-7/h1-5H,12H2.
What are the key properties of 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile?
5-amino-3-phenyl-1,2-oxazole-4-carbonitrile has a molecular weight of 185.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-phenyl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 13449567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).