(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C17H22N2O3 — CID 23251083

IUPAC(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C
InChIInChI=1S/C17H22N2O3/c1-11(2)9-13-15(16(20)18(13)3)19-14(10-22-17(19)21)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyNQZUZBJUUOCYBM-KFWWJZLASA-N
MW302.37 g/mol
LogP2.44
Rot. Bonds4

About (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 23251083) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID23251083
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)C[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C
InChIInChI=1S/C17H22N2O3/c1-11(2)9-13-15(16(20)18(13)3)19-14(10-22-17(19)21)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyNQZUZBJUUOCYBM-KFWWJZLASA-N
XLogP2.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-[(2R,3R)-1-benzyl-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10552752
2-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]acetic acid
CID 66587194
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
CID 101130998
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
(4S)-3-[(2R,3S)-1-benzyl-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14281572
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
(4R)-3-[(E)-3-hydroxybut-1-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10922425
3-[1-benzyl-2-[2-(furan-2-yl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 14314974
4-oxo-3-[2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-(2-phenylethenyl)azetidin-1-yl]-4-[[(1S)-1-phenylethyl]amino]butanoic acid
CID 67531858

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 23251083) is (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)C[C@@H]1[C@H](N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N1C.
What is the InChIKey of (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is NQZUZBJUUOCYBM-KFWWJZLASA-N. The full InChI is InChI=1S/C17H22N2O3/c1-11(2)9-13-15(16(20)18(13)3)19-14(10-22-17(19)21)12-7-5-4-6-8-12/h4-8,11,13-15H,9-10H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 302.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23251083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).