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

C16H14ClNO — CID 90933052

IUPAC5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=CC(Cc3ccccc3)ON2)cc1
InChIInChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,11,15,18H,10H2
InChIKeyROYRGECPRKCYBS-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.83
Rot. Bonds3

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

5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 90933052) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID90933052
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1ccc(C2=CC(Cc3ccccc3)ON2)cc1
InChIInChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,11,15,18H,10H2
InChIKeyROYRGECPRKCYBS-UHFFFAOYSA-N
XLogP3.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]methanamine
CID 88283054
3-(4-chlorophenyl)-5-(3-ethyl-5-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90718944
1-(4-chloro-3-fluorophenyl)-2-methoxy-N-phenylmethoxyethenamine
CID 90740148
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 90911263
3-(4-Chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91115766
3-(4-chlorophenyl)-5-(3,5-dimethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91137395
5-Benzyl-3-(2-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91159919
3-(4-Fluorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91396953
5-Benzyl-3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole
CID 91419881
3-(4-chlorophenyl)-5-(3,5-diethylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91478404
N-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 176400949
CID 134863644
CID 134863644

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole (CID 90933052) is 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole is Clc1ccc(C2=CC(Cc3ccccc3)ON2)cc1.
What is the InChIKey of 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is ROYRGECPRKCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-14-8-6-13(7-9-14)16-11-15(19-18-16)10-12-4-2-1-3-5-12/h1-9,11,15,18H,10H2.
What are the key properties of 5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 271.75 g/mol, XLogP of 3.83, 3 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)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 90933052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).