2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one

C16H14ClNO2 — CID 14787865

IUPAC2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
SMILESCC1(c2ccc(Cl)cc2)ON(Cc2ccccc2)C1=O
InChIInChI=1S/C16H14ClNO2/c1-16(13-7-9-14(17)10-8-13)15(19)18(20-16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyRWAWLJKDNAMDIB-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.53
Rot. Bonds3

About 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one

2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one (PubChem CID 14787865) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
PubChem CID14787865
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
SMILESCC1(c2ccc(Cl)cc2)ON(Cc2ccccc2)C1=O
InChIInChI=1S/C16H14ClNO2/c1-16(13-7-9-14(17)10-8-13)15(19)18(20-16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyRWAWLJKDNAMDIB-UHFFFAOYSA-N
XLogP3.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one
CID 14787819
3-(4-chlorophenyl)-5-methyl-2,2-dioxo-5-phenyloxathiazolidin-4-one
CID 10088465
5-(4-chlorophenyl)-3,4-diiodo-5-methylfuran-2-one
CID 139257536
5,5-bis(4-chlorophenyl)-3-(2-phenylethyl)-2-sulfanylideneimidazolidin-4-one
CID 11408073
(5R)-3-[(4-chlorophenyl)methyl]-5-phenyl-5-propylimidazolidine-2,4-dione
CID 2585401
5-(4-benzylphenyl)-3-(4-chlorophenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 87951519
3-(4-chlorophenyl)-3-methyl-2-[(4-methylphenyl)methyl]isoindol-1-one
CID 134463019
3-(4-chlorophenyl)-2-[(4-iodophenyl)methyl]-3-methylisoindol-1-one
CID 134463058
(3S,9bS)-1-benzyl-9b-(4-chlorophenyl)-3-methyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one
CID 71737738
(5R)-3-[(2-benzyl-1,3-thiazol-4-yl)methyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 52617959
1-benzyl-2-methyl-2-phenylpyrrol-3-one
CID 15728377
benzyl (5S)-3-(4-chlorophenyl)-5-hydroxy-5-methyl-1,2-oxazolidine-2-carboxylate
CID 135007078

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one?
The IUPAC name of 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one (CID 14787865) is 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one.
What is the SMILES notation for 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one?
The canonical SMILES for 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one is CC1(c2ccc(Cl)cc2)ON(Cc2ccccc2)C1=O.
What is the InChIKey of 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one?
The InChIKey is RWAWLJKDNAMDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-16(13-7-9-14(17)10-8-13)15(19)18(20-16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one?
2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one has a molecular weight of 287.75 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one is sourced from PubChem (CID 14787865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).