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

C21H14ClNO — CID 67513146

IUPAC3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole
SMILESClc1ccccc1-c1noc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H14ClNO/c22-18-14-8-7-13-17(18)20-19(15-9-3-1-4-10-15)21(24-23-20)16-11-5-2-6-12-16/h1-14H
InChIKeyAKSINDKIZNYQKT-UHFFFAOYSA-N
MW331.80 g/mol
LogP6.33
Rot. Bonds3

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

3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole (PubChem CID 67513146) has the molecular formula C21H14ClNO and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole
PubChem CID67513146
Molecular FormulaC21H14ClNO
Molecular Weight331.80 g/mol
Exact Mass331.08
IUPAC Name3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole
SMILESClc1ccccc1-c1noc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H14ClNO/c22-18-14-8-7-13-17(18)20-19(15-9-3-1-4-10-15)21(24-23-20)16-11-5-2-6-12-16/h1-14H
InChIKeyAKSINDKIZNYQKT-UHFFFAOYSA-N
XLogP6.33
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.80
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dichlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335737
2-chloro-4-(2-chlorophenyl)-5-phenyl-1,3-oxazole
CID 54558534
4-(2-chlorophenyl)-5-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66204374
4-(2-chlorophenyl)-5-(4-iodophenyl)-1,2-oxazol-3-amine
CID 66205607
4-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66205397
5-(4-chlorophenyl)-4-phenyl-1,2-oxazol-3-amine
CID 66200717
3-(2-chloro-4-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43158039
4-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 66204576
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
CID 15185268
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 83913780
4-(2-chlorophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66207019

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole?
The IUPAC name of 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole (CID 67513146) is 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole.
What is the SMILES notation for 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole?
The canonical SMILES for 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole is Clc1ccccc1-c1noc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole?
The InChIKey is AKSINDKIZNYQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO/c22-18-14-8-7-13-17(18)20-19(15-9-3-1-4-10-15)21(24-23-20)16-11-5-2-6-12-16/h1-14H.
What are the key properties of 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole?
3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole has a molecular weight of 331.80 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole is sourced from PubChem (CID 67513146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).