5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole

C22H16ClNO — CID 132510794

IUPAC5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole
SMILESClc1ccccc1-c1nc(-c2ccccc2)oc1Cc1ccccc1
InChIInChI=1S/C22H16ClNO/c23-19-14-8-7-13-18(19)21-20(15-16-9-3-1-4-10-16)25-22(24-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyYNWDZYBMHMSBNT-UHFFFAOYSA-N
MW345.83 g/mol
LogP6.25
Rot. Bonds4

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

5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole (PubChem CID 132510794) has the molecular formula C22H16ClNO and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole
PubChem CID132510794
Molecular FormulaC22H16ClNO
Molecular Weight345.83 g/mol
Exact Mass345.09
IUPAC Name5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole
SMILESClc1ccccc1-c1nc(-c2ccccc2)oc1Cc1ccccc1
InChIInChI=1S/C22H16ClNO/c23-19-14-8-7-13-18(19)21-20(15-16-9-3-1-4-10-16)25-22(24-21)17-11-5-2-6-12-17/h1-14H,15H2
InChIKeyYNWDZYBMHMSBNT-UHFFFAOYSA-N
XLogP6.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]acetamide
CID 139917835
2-chloro-4-(2-chlorophenyl)-5-phenyl-1,3-oxazole
CID 54558534
4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
CID 15446599
5-benzyl-4-(2-chlorophenyl)-1H-imidazole
CID 127048015
N-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-2-(4-fluoro-2-hydroxyphenyl)acetamide
CID 139917923
N-benzyl-2,4-diphenyl-1,3-oxazol-5-amine
CID 16759411
2-[4-(2-benzylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 158668516
4-(2-chlorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 62076151
3,6-bis(2-chlorophenyl)-4-phenylpyridazine
CID 18874698
1-chloro-2-[2-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 171525544
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
3-(2-chlorophenyl)-4,5-diphenyl-1,2-oxazole
CID 67513146

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole (CID 132510794) is 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole is Clc1ccccc1-c1nc(-c2ccccc2)oc1Cc1ccccc1.
What is the InChIKey of 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole?
The InChIKey is YNWDZYBMHMSBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClNO/c23-19-14-8-7-13-18(19)21-20(15-16-9-3-1-4-10-16)25-22(24-21)17-11-5-2-6-12-17/h1-14H,15H2.
What are the key properties of 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole?
5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole has a molecular weight of 345.83 g/mol, XLogP of 6.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-4-(2-chlorophenyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 132510794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).