5-phenyl-1,3-oxazole

C9H7NO — CID 589311

IUPAC5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
InChIKeyYPYPBEGIASEWKA-UHFFFAOYSA-N
MW145.16 g/mol
LogP2.34
Rot. Bonds1

About 5-phenyl-1,3-oxazole

5-phenyl-1,3-oxazole (PubChem CID 589311) has the molecular formula C9H7NO and a molecular weight of 145.16 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-1,3-oxazole
PubChem CID589311
Molecular FormulaC9H7NO
Molecular Weight145.16 g/mol
Exact Mass145.05
IUPAC Name5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H
InChIKeyYPYPBEGIASEWKA-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 5-phenyl-1,3-oxazole?
The IUPAC name of 5-phenyl-1,3-oxazole (CID 589311) is 5-phenyl-1,3-oxazole.
What is the SMILES notation for 5-phenyl-1,3-oxazole?
The canonical SMILES for 5-phenyl-1,3-oxazole is c1ccc(-c2cnco2)cc1.
What is the InChIKey of 5-phenyl-1,3-oxazole?
The InChIKey is YPYPBEGIASEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H.
What are the key properties of 5-phenyl-1,3-oxazole?
5-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 5-phenyl-1,3-oxazole is sourced from PubChem (CID 589311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).