4-phenyl-1,2-oxazole

C9H7NO — CID 2750134

IUPAC4-phenyl-1,2-oxazole
SMILESc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChIKeyKEVAZWIBJQZOHC-UHFFFAOYSA-N
MW145.16 g/mol
LogP2.34
Rot. Bonds1

About 4-phenyl-1,2-oxazole

4-phenyl-1,2-oxazole (PubChem CID 2750134) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 4-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-phenyl-1,2-oxazole
PubChem CID2750134
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name4-phenyl-1,2-oxazole
SMILESc1ccc(-c2cnoc2)cc1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H
InChIKeyKEVAZWIBJQZOHC-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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Related Compounds

Isoxazole, 5-phenyl-
CID 136800
4-Phenyl-1,2-oxazol-5-amine
CID 2748785
4-(4-Fluorophenyl)Isoxazol-5-Amine
CID 22424949
4-Phenyl-1,2-oxazol-3-amine
CID 10773253
(4-Phenylisoxazol-5-YL)methanol
CID 145957538
4,5-Diphenylisoxazole
CID 291189
4-(4-Nitrophenyl)-1,2-oxazole
CID 71349868
2-(4-Isoxazolyl)benzenesulfonyl chloride
CID 13489812
4-(2-Fluorophenyl)-1,2-oxazol-5-amine
CID 61553161
4-(2,4-Difluorophenyl)-1,2-oxazol-5-amine
CID 64559518
4-(4-Fluorophenyl)isoxazole
CID 130038548
4-(4-Fluorophenyl)-5-methyl-1,2-oxazole
CID 130439192

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,2-oxazole?
The IUPAC name of 4-phenyl-1,2-oxazole (CID 2750134) is 4-phenyl-1,2-oxazole.
What is the SMILES notation for 4-phenyl-1,2-oxazole?
The canonical SMILES for 4-phenyl-1,2-oxazole is c1ccc(-c2cnoc2)cc1.
What is the InChIKey of 4-phenyl-1,2-oxazole?
The InChIKey is KEVAZWIBJQZOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-11-7-9/h1-7H.
What are the key properties of 4-phenyl-1,2-oxazole?
4-phenyl-1,2-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 4-phenyl-1,2-oxazole is sourced from PubChem (CID 2750134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).