4-chloro-5-phenyl-1,2-oxazole

C9H6ClNO — CID 55296756

IUPAC4-chloro-5-phenyl-1,2-oxazole
SMILESClc1cnoc1-c1ccccc1
InChIInChI=1S/C9H6ClNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyBVZOEMHSOPJPRM-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.99
Rot. Bonds1

About 4-chloro-5-phenyl-1,2-oxazole

4-chloro-5-phenyl-1,2-oxazole (PubChem CID 55296756) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 4-chloro-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-chloro-5-phenyl-1,2-oxazole
PubChem CID55296756
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name4-chloro-5-phenyl-1,2-oxazole
SMILESClc1cnoc1-c1ccccc1
InChIInChI=1S/C9H6ClNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H
InChIKeyBVZOEMHSOPJPRM-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenyl-1,2-oxazole?
The IUPAC name of 4-chloro-5-phenyl-1,2-oxazole (CID 55296756) is 4-chloro-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-chloro-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-chloro-5-phenyl-1,2-oxazole is Clc1cnoc1-c1ccccc1.
What is the InChIKey of 4-chloro-5-phenyl-1,2-oxazole?
The InChIKey is BVZOEMHSOPJPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-8-6-11-12-9(8)7-4-2-1-3-5-7/h1-6H.
What are the key properties of 4-chloro-5-phenyl-1,2-oxazole?
4-chloro-5-phenyl-1,2-oxazole has a molecular weight of 179.61 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenyl-1,2-oxazole is sourced from PubChem (CID 55296756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).