2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole

C16H12ClNO2 — CID 54104212

IUPAC2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2oc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12ClNO2/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyNCPJILJVEBJZAV-UHFFFAOYSA-N
MW285.73 g/mol
LogP4.67
Rot. Bonds3

About 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole

2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole (PubChem CID 54104212) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
PubChem CID54104212
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2oc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C16H12ClNO2/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3
InChIKeyNCPJILJVEBJZAV-UHFFFAOYSA-N
XLogP4.67
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole?
The IUPAC name of 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole (CID 54104212) is 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole.
What is the SMILES notation for 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole?
The canonical SMILES for 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole is COc1ccc(-c2oc(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole?
The InChIKey is NCPJILJVEBJZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c1-19-13-9-7-12(8-10-13)15-14(18-16(17)20-15)11-5-3-2-4-6-11/h2-10H,1H3.
What are the key properties of 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole?
2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole has a molecular weight of 285.73 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-methoxyphenyl)-4-phenyl-1,3-oxazole is sourced from PubChem (CID 54104212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).