2-phenyl-1,3-oxazole

C9H7NO — CID 589280

IUPAC2-phenyl-1,3-oxazole
SMILESc1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
InChIKeyRQCBPOPQTLHDFC-UHFFFAOYSA-N
MW145.16 g/mol
LogP2.34
Rot. Bonds1

About 2-phenyl-1,3-oxazole

2-phenyl-1,3-oxazole (PubChem CID 589280) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-1,3-oxazole
PubChem CID589280
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name2-phenyl-1,3-oxazole
SMILESc1ccc(-c2ncco2)cc1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H
InChIKeyRQCBPOPQTLHDFC-UHFFFAOYSA-N
XLogP2.34
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-oxazole?
The IUPAC name of 2-phenyl-1,3-oxazole (CID 589280) is 2-phenyl-1,3-oxazole.
What is the SMILES notation for 2-phenyl-1,3-oxazole?
The canonical SMILES for 2-phenyl-1,3-oxazole is c1ccc(-c2ncco2)cc1.
What is the InChIKey of 2-phenyl-1,3-oxazole?
The InChIKey is RQCBPOPQTLHDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-7H.
What are the key properties of 2-phenyl-1,3-oxazole?
2-phenyl-1,3-oxazole has a molecular weight of 145.16 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-oxazole is sourced from PubChem (CID 589280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).