3,5-bis(4-chlorophenyl)-1,2-oxazole

C15H9Cl2NO — CID 4190932

IUPAC3,5-bis(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C15H9Cl2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-9H
InChIKeyPLQFSXSKGJRLCO-UHFFFAOYSA-N
MW290.15 g/mol
LogP5.32
Rot. Bonds2

About 3,5-bis(4-chlorophenyl)-1,2-oxazole

3,5-bis(4-chlorophenyl)-1,2-oxazole (PubChem CID 4190932) has the molecular formula C15H9Cl2NO and a molecular weight of 290.15 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-1,2-oxazole
PubChem CID4190932
Molecular FormulaC15H9Cl2NO
Molecular Weight290.15 g/mol
Exact Mass289.01
IUPAC Name3,5-bis(4-chlorophenyl)-1,2-oxazole
SMILESClc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C15H9Cl2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-9H
InChIKeyPLQFSXSKGJRLCO-UHFFFAOYSA-N
XLogP5.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.15
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
2,1-Benzisoxazole, 5-chloro-3-phenyl-
CID 347291
3-Methyl-5-phenylisoxazole
CID 136804
5-(4-Chlorophenyl)isoxazole
CID 2735794
L 741742
CID 133008
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
3-(p-Chlorophenyl)-5-phenylisoxazole
CID 279128
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
Methanone, (3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl)phenyl-
CID 2805168
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-1,2-oxazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-1,2-oxazole (CID 4190932) is 3,5-bis(4-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-1,2-oxazole is Clc1ccc(-c2cc(-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-1,2-oxazole?
The InChIKey is PLQFSXSKGJRLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO/c16-12-5-1-10(2-6-12)14-9-15(19-18-14)11-3-7-13(17)8-4-11/h1-9H.
What are the key properties of 3,5-bis(4-chlorophenyl)-1,2-oxazole?
3,5-bis(4-chlorophenyl)-1,2-oxazole has a molecular weight of 290.15 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 4190932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).