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

C15H12ClNO — CID 134863575

IUPAC5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESClc1ccccc1C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H12ClNO/c16-13-9-5-4-8-12(13)15-10-14(17-18-15)11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyPDNKNNDYNNDUQA-UHFFFAOYSA-N
MW257.72 g/mol
LogP4.21
Rot. Bonds2

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

5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 134863575) has the molecular formula C15H12ClNO and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID134863575
Molecular FormulaC15H12ClNO
Molecular Weight257.72 g/mol
Exact Mass257.06
IUPAC Name5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESClc1ccccc1C1CC(c2ccccc2)=NO1
InChIInChI=1S/C15H12ClNO/c16-13-9-5-4-8-12(13)15-10-14(17-18-15)11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyPDNKNNDYNNDUQA-UHFFFAOYSA-N
XLogP4.21
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 ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Benzyl-3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544904
(5R)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562090
(5R)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562324
1-(4-Chlorophenyl)-2-methoxy-2-phenyl-1-ethanone oxime
CID 9638292
N-[1-(4-chlorophenyl)-2-methoxy-2-phenylethylidene]hydroxylamine
CID 3836516
5-benzyl-3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazole
CID 59544929
5-Benzyl-3-(3-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 59544959
Isoxazole, 3-chloro-4,5-dihydro-5-phenyl-
CID 337795
Isoxazole, 4,5-dihydro-3,5-diphenyl-
CID 98238
(5S)-5-benzyl-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazole
CID 71562091
(5S)-3-(4-chlorophenyl)-5-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazole
CID 71562325
3-(4-Chlorophenyl)-5-(2-phenylethyl)-4,5-dihydro-1,2-oxazole
CID 59544954

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole (CID 134863575) is 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is Clc1ccccc1C1CC(c2ccccc2)=NO1.
What is the InChIKey of 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is PDNKNNDYNNDUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO/c16-13-9-5-4-8-12(13)15-10-14(17-18-15)11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole?
5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 257.72 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 134863575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).