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

C10H6N2O — CID 4204481

IUPAC5-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1-c1ccccc1
InChIInChI=1S/C10H6N2O/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H
InChIKeyRVYLXUPJRHATPI-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.21
Rot. Bonds1

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

5-phenyl-1,3-oxazole-4-carbonitrile (PubChem CID 4204481) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-phenyl-1,3-oxazole-4-carbonitrile
PubChem CID4204481
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name5-phenyl-1,3-oxazole-4-carbonitrile
SMILESN#Cc1ncoc1-c1ccccc1
InChIInChI=1S/C10H6N2O/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H
InChIKeyRVYLXUPJRHATPI-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 5-phenyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-phenyl-1,3-oxazole-4-carbonitrile (CID 4204481) is 5-phenyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-phenyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-phenyl-1,3-oxazole-4-carbonitrile is N#Cc1ncoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-oxazole-4-carbonitrile?
The InChIKey is RVYLXUPJRHATPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-6-9-10(13-7-12-9)8-4-2-1-3-5-8/h1-5,7H.
What are the key properties of 5-phenyl-1,3-oxazole-4-carbonitrile?
5-phenyl-1,3-oxazole-4-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 5-phenyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 4204481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).