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

C15H12ClNO — CID 134159694

IUPAC2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2N=C(c3ccccc3)CO2)cc1
InChIInChI=1S/C15H12ClNO/c16-13-8-6-12(7-9-13)15-17-14(10-18-15)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyQWXRKYUVQGICGQ-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.86
Rot. Bonds2

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

2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole (PubChem CID 134159694) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole
PubChem CID134159694
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole
SMILESClc1ccc(C2N=C(c3ccccc3)CO2)cc1
InChIInChI=1S/C15H12ClNO/c16-13-8-6-12(7-9-13)15-17-14(10-18-15)11-4-2-1-3-5-11/h1-9,15H,10H2
InChIKeyQWXRKYUVQGICGQ-UHFFFAOYSA-N
XLogP3.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 9547868
4-(4-Chlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853209
4-(2,4-Dichlorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853265
4-(4-Chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853272
4-(4-Chloro-3-fluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853293
(4S)-4-benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 17756825
2-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414767
2-(2,3-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414768
2-(2,4-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414769
2-(2,5-Dichlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414790
2-(2-Chloro-6-fluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414792
2-(2-Chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414802

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole (CID 134159694) is 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole is Clc1ccc(C2N=C(c3ccccc3)CO2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole?
The InChIKey is QWXRKYUVQGICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-8-6-12(7-9-13)15-17-14(10-18-15)11-4-2-1-3-5-11/h1-9,15H,10H2.
What are the key properties of 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole?
2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole has a molecular weight of 257.72 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-phenyl-2,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134159694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).