(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C21H22N2O4 — CID 11689154

IUPAC(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CCC(N3C(=O)OC[C@@H]3c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-26-17-9-7-15(8-10-17)13-22-12-11-18(20(22)24)23-19(14-27-21(23)25)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3/t18?,19-/m1/s1
InChIKeyOGEPQIYPHXKIQE-MUMRKEEXSA-N
MW366.42 g/mol
LogP2.99
Rot. Bonds5

About (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11689154) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11689154
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOc1ccc(CN2CCC(N3C(=O)OC[C@@H]3c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H22N2O4/c1-26-17-9-7-15(8-10-17)13-22-12-11-18(20(22)24)23-19(14-27-21(23)25)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3/t18?,19-/m1/s1
InChIKeyOGEPQIYPHXKIQE-MUMRKEEXSA-N
XLogP2.99
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 136583669
1-[(4-chlorophenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217160
3-[(2R,3S)-1-benzyl-2-[2-(3-methoxyphenyl)ethyl]-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 18608249
(2R,5R,6R)-6-(4-methoxyphenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-1,3-oxazinan-4-one
CID 101131007
1-[(3-chloro-4-methylphenyl)methyl]-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
CID 118217166
(4S)-3-[(2S,3S)-1-benzyl-2-(hydroxymethyl)-2-methyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10761399
1-[(3,4-difluorophenyl)methyl]-3-[3-(4-methoxyphenyl)azetidin-1-yl]pyrrolidin-2-one
CID 118217170
1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 140665359
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
2-[4-[[6-methyl-5-[[4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]piperidin-1-yl]methyl]-2-pyridinyl]oxy]phenyl]acetic acid
CID 58835058
(4R)-3-[(3S,4R)-1-benzyl-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
CID 153407374
3-diethoxyphosphoryl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 87324494

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 11689154) is (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is COc1ccc(CN2CCC(N3C(=O)OC[C@@H]3c3ccccc3)C2=O)cc1.
What is the InChIKey of (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is OGEPQIYPHXKIQE-MUMRKEEXSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-26-17-9-7-15(8-10-17)13-22-12-11-18(20(22)24)23-19(14-27-21(23)25)16-5-3-2-4-6-16/h2-10,18-19H,11-14H2,1H3/t18?,19-/m1/s1.
What are the key properties of (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 366.42 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[1-[(4-methoxyphenyl)methyl]-2-oxopyrrolidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11689154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).