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

C17H17NO3 — CID 14787819

IUPAC2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one
SMILESCOc1ccc(C2(C)ON(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H17NO3/c1-17(14-8-10-15(20-2)11-9-14)16(19)18(21-17)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyPJYGTTHRYNSDET-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.88
Rot. Bonds4

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

2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one (PubChem CID 14787819) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one.

Molecular Properties

Compound Name2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one
PubChem CID14787819
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one
SMILESCOc1ccc(C2(C)ON(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C17H17NO3/c1-17(14-8-10-15(20-2)11-9-14)16(19)18(21-17)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChIKeyPJYGTTHRYNSDET-UHFFFAOYSA-N
XLogP2.88
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-(4-chlorophenyl)-4-methyloxazetidin-3-one
CID 14787865
3-benzyl-4-hydroxy-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
CID 4916828
3-(benzylamino)-6-(4-methoxyphenyl)-6-methyloxane-2,5-dione
CID 10664808
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
1-benzyl-6-methoxy-3,3-dimethylindol-2-one
CID 1201570
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385
3-chloro-4-iodo-5-(4-methoxyphenyl)-5-methylfuran-2-one
CID 139257513
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
2-(4-methoxyphenyl)-2-phenylindene-1,3-dione
CID 10664026
(2S,3S,4'S)-1'-benzyl-4'-(4-methoxyphenyl)-2-phenylspiro[2H-chromene-3,3'-pyrrolidine]-4-one
CID 11225287
(5E)-1-benzyl-5-[(4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 25185443
(3Z,5Z)-1-benzyl-3,5-bis[(4-methoxyphenyl)methylidene]piperidin-4-one
CID 6966481

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one?
The IUPAC name of 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one (CID 14787819) is 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one.
What is the SMILES notation for 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one?
The canonical SMILES for 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one is COc1ccc(C2(C)ON(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one?
The InChIKey is PJYGTTHRYNSDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(14-8-10-15(20-2)11-9-14)16(19)18(21-17)12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3.
What are the key properties of 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one?
2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one has a molecular weight of 283.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(4-methoxyphenyl)-4-methyloxazetidin-3-one is sourced from PubChem (CID 14787819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).