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

C10H6N2O — CID 130055318

IUPAC2-phenyl-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)o1
InChIInChI=1S/C10H6N2O/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H
InChIKeyBTRPJSLEFKEKOK-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.21
Rot. Bonds1

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

2-phenyl-1,3-oxazole-5-carbonitrile (PubChem CID 130055318) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole-5-carbonitrile.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole-5-carbonitrile
PubChem CID130055318
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name2-phenyl-1,3-oxazole-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)o1
InChIInChI=1S/C10H6N2O/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H
InChIKeyBTRPJSLEFKEKOK-UHFFFAOYSA-N
XLogP2.21
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole-5-carbonitrile?
The IUPAC name of 2-phenyl-1,3-oxazole-5-carbonitrile (CID 130055318) is 2-phenyl-1,3-oxazole-5-carbonitrile.
What is the SMILES notation for 2-phenyl-1,3-oxazole-5-carbonitrile?
The canonical SMILES for 2-phenyl-1,3-oxazole-5-carbonitrile is N#Cc1cnc(-c2ccccc2)o1.
What is the InChIKey of 2-phenyl-1,3-oxazole-5-carbonitrile?
The InChIKey is BTRPJSLEFKEKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-6-9-7-12-10(13-9)8-4-2-1-3-5-8/h1-5,7H.
What are the key properties of 2-phenyl-1,3-oxazole-5-carbonitrile?
2-phenyl-1,3-oxazole-5-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole-5-carbonitrile is sourced from PubChem (CID 130055318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).