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

C16H14ClNO — CID 91316514

IUPAC5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1ccccc1C1=CC(Cc2ccccc2)ON1
InChIInChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,11,13,18H,10H2
InChIKeyFNLFSHLQSPRZKR-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.83
Rot. Bonds3

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

5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91316514) has the molecular formula C16H14ClNO and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91316514
Molecular FormulaC16H14ClNO
Molecular Weight271.75 g/mol
Exact Mass271.08
IUPAC Name5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1ccccc1C1=CC(Cc2ccccc2)ON1
InChIInChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,11,13,18H,10H2
InChIKeyFNLFSHLQSPRZKR-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

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Related Compounds

(Benzyloxy)((2-chlorophenyl)methyl)amine
CID 64974436
5-Benzyl-3-(4-fluorophenyl)-2,5-dihydro-1,2-oxazole
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3-(4-Chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91115766
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-Diphenyl-2,5-dihydro-1,2-oxazole
CID 57257515
3,5-Diphenyl-2,5-dihydro-1,2-oxazole
CID 90723559
N-[1-(2,6-dichlorophenyl)propoxy]aniline
CID 90778315
3-(4-Chlorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90883706
5-benzyl-3-(4-chlorophenyl)-5-phenyl-2H-1,2-oxazole
CID 90922611
5-Benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole
CID 90933052

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole (CID 91316514) is 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole is Clc1ccccc1C1=CC(Cc2ccccc2)ON1.
What is the InChIKey of 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is FNLFSHLQSPRZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO/c17-15-9-5-4-8-14(15)16-11-13(19-18-16)10-12-6-2-1-3-7-12/h1-9,11,13,18H,10H2.
What are the key properties of 5-benzyl-3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(2-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-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91316514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).