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

C15H12ClNO — CID 139724949

IUPAC(4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccccc1C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C15H12ClNO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1
InChIKeyGJOQLCJVWNMVOC-AWEZNQCLSA-N
MW257.72 g/mol
LogP3.86
Rot. Bonds2

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

(4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 139724949) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID139724949
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name(4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESClc1ccccc1C1=N[C@H](c2ccccc2)CO1
InChIInChI=1S/C15H12ClNO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1
InChIKeyGJOQLCJVWNMVOC-AWEZNQCLSA-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

2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-Benzyl-2-(3,5-dichlorophenyl)-4,5-dihydro-1,3-oxazole
CID 9547868
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
Oxazole, 2-(4-chlorophenyl)-4,5-dihydro-
CID 244027
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-(2,4-Difluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853270
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
4-(2-Chloro-4-octylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 15008033
4-(2-Chloro-4-ethylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 76308799

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 139724949) is (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is Clc1ccccc1C1=N[C@H](c2ccccc2)CO1.
What is the InChIKey of (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is GJOQLCJVWNMVOC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1.
What are the key properties of (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
(4R)-2-(2-chlorophenyl)-4-phenyl-4,5-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 (4R)-2-(2-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139724949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).