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

C21H16ClNO — CID 615486

IUPAC5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2OC(c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C21H16ClNO/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)23-21(24-20)17-9-5-2-6-10-17/h1-14,20-21H
InChIKeyKBQPPSXYUCMLKC-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.60
Rot. Bonds3

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

5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole (PubChem CID 615486) has the molecular formula C21H16ClNO and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole
PubChem CID615486
Molecular FormulaC21H16ClNO
Molecular Weight333.82 g/mol
Exact Mass333.09
IUPAC Name5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2OC(c3ccccc3)N=C2c2ccccc2)cc1
InChIInChI=1S/C21H16ClNO/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)23-21(24-20)17-9-5-2-6-10-17/h1-14,20-21H
InChIKeyKBQPPSXYUCMLKC-UHFFFAOYSA-N
XLogP5.60
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414767
1-(p-Chlorophenyl)-3-ethoxy-1h-isoindole
CID 12333287
4-[4-(4-Chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15007856
2-(2,6-difluorophenyl)-4-(4-chlorophenyl)-5,6-dihydro-4H-1,3-oxazine
CID 15790733
4-[4-(4-Chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 18520180
(4R,5S)-2-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 59069381
(4S,5S)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069391
(4R,5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069394
(4S,5R)-2-(2-chloro-6-fluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 59069399
(4R,5S)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069415
(4S,5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 59069441
(5R)-4-[4-(4-chlorophenyl)phenyl]-2-(2,6-difluorophenyl)-5-methyl-4,5-dihydro-1,3-oxazole
CID 142199821

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole?
The IUPAC name of 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole (CID 615486) is 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole is Clc1ccc(C2OC(c3ccccc3)N=C2c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole?
The InChIKey is KBQPPSXYUCMLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO/c22-18-13-11-16(12-14-18)20-19(15-7-3-1-4-8-15)23-21(24-20)17-9-5-2-6-10-17/h1-14,20-21H.
What are the key properties of 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole?
5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole has a molecular weight of 333.82 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,4-diphenyl-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 615486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).