benzene;5-phenyl-1,3-oxazole

C15H13NO — CID 69095044

IUPACbenzene;5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnco2)cc1.c1ccccc1
InChIInChI=1S/C9H7NO.C6H6/c1-2-4-8(5-3-1)9-6-10-7-11-9;1-2-4-6-5-3-1/h1-7H;1-6H
InChIKeyFWRYJPKDVHMSTR-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.03
Rot. Bonds1

About benzene;5-phenyl-1,3-oxazole

benzene;5-phenyl-1,3-oxazole (PubChem CID 69095044) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is benzene;5-phenyl-1,3-oxazole.

Molecular Properties

Compound Namebenzene;5-phenyl-1,3-oxazole
PubChem CID69095044
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Namebenzene;5-phenyl-1,3-oxazole
SMILESc1ccc(-c2cnco2)cc1.c1ccccc1
InChIInChI=1S/C9H7NO.C6H6/c1-2-4-8(5-3-1)9-6-10-7-11-9;1-2-4-6-5-3-1/h1-7H;1-6H
InChIKeyFWRYJPKDVHMSTR-UHFFFAOYSA-N
XLogP4.03
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;5-phenyl-1,3-oxazole?
The IUPAC name of benzene;5-phenyl-1,3-oxazole (CID 69095044) is benzene;5-phenyl-1,3-oxazole.
What is the SMILES notation for benzene;5-phenyl-1,3-oxazole?
The canonical SMILES for benzene;5-phenyl-1,3-oxazole is c1ccc(-c2cnco2)cc1.c1ccccc1.
What is the InChIKey of benzene;5-phenyl-1,3-oxazole?
The InChIKey is FWRYJPKDVHMSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO.C6H6/c1-2-4-8(5-3-1)9-6-10-7-11-9;1-2-4-6-5-3-1/h1-7H;1-6H.
What are the key properties of benzene;5-phenyl-1,3-oxazole?
benzene;5-phenyl-1,3-oxazole has a molecular weight of 223.28 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;5-phenyl-1,3-oxazole is sourced from PubChem (CID 69095044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).