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

C22H18ClNO — CID 90922611

IUPAC5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole
SMILESClc1ccc(C2=CC(Cc3ccccc3)(c3ccccc3)ON2)cc1
InChIInChI=1S/C22H18ClNO/c23-20-13-11-18(12-14-20)21-16-22(25-24-21,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,16,24H,15H2
InChIKeyJIFWDYXYXZLFAQ-UHFFFAOYSA-N
MW347.85 g/mol
LogP5.35
Rot. Bonds4

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

5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole (PubChem CID 90922611) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole
PubChem CID90922611
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole
SMILESClc1ccc(C2=CC(Cc3ccccc3)(c3ccccc3)ON2)cc1
InChIInChI=1S/C22H18ClNO/c23-20-13-11-18(12-14-20)21-16-22(25-24-21,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,16,24H,15H2
InChIKeyJIFWDYXYXZLFAQ-UHFFFAOYSA-N
XLogP5.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.85
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-one
CID 71698156
3-benzyl-3-[(4-chlorophenyl)methyl]azetidine
CID 79451717
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]-2H-1,2-oxazole
CID 90694416
(5R)-5-benzyl-3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 30553527
(4R)-2-amino-4-[(4-chlorophenyl)methyl]-4-phenyl-1H-imidazol-5-one
CID 95655641
CID 23660617
CID 23660617
3-(4-chlorophenyl)-5-(2-phenylethyl)-1,2,4-oxadiazole
CID 874863
(5R)-2-(4-chlorophenyl)-5-ethyl-4,5-diphenyl-1,3,4-oxadiazin-6-one
CID 25191664
(5R)-5-benzyl-3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-phenylimidazolidine-2,4-dione
CID 41213860
4-benzyl-2,4,6-triphenylpyran
CID 14198395
3-(3-chloro-4-fluorophenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91168948
(3aR,9aR)-7-chloro-3a-[(4-chlorophenyl)methyl]-2,2-diphenyl-3,4,9,9a-tetrahydrobenzo[f][1]benzofuran;(3aS,9aS)-7-chloro-3a-[(4-chlorophenyl)methyl]-2,2-diphenyl-3,4,9,9a-tetrahydrobenzo[f][1]benzofuran
CID 139121288

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole (CID 90922611) is 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole is Clc1ccc(C2=CC(Cc3ccccc3)(c3ccccc3)ON2)cc1.
What is the InChIKey of 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole?
The InChIKey is JIFWDYXYXZLFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c23-20-13-11-18(12-14-20)21-16-22(25-24-21,19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-14,16,24H,15H2.
What are the key properties of 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole?
5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole has a molecular weight of 347.85 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole is sourced from PubChem (CID 90922611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).