(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one

C17H22N2O4 — CID 72841991

IUPAC(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-22-11-14-8-5-9-18(14)16(20)10-19-15(12-23-17(19)21)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15+/m0/s1
InChIKeyDFPOWYOEGCLGHH-LSDHHAIUSA-N
MW318.37 g/mol
LogP1.82
Rot. Bonds5

About (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 72841991) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID72841991
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCOC[C@@H]1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C17H22N2O4/c1-22-11-14-8-5-9-18(14)16(20)10-19-15(12-23-17(19)21)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15+/m0/s1
InChIKeyDFPOWYOEGCLGHH-LSDHHAIUSA-N
XLogP1.82
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide
CID 174783029
1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 97062773
1-[2-(methoxymethyl)pyrrolidin-1-yl]-2-(4-phenyltriazol-1-yl)ethanone
CID 71917448
3-amino-1-[2-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
CID 83624626
(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]-N-[4-[2-[4-[[(2S)-1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidine-2-carbonyl]amino]phenyl]-1,3-oxazol-5-yl]phenyl]pyrrolidine-2-carboxamide
CID 67314049
(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099
(4S)-3-[2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72928233
3-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156603139
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-1-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 67356759
tert-butyl N-[(Z)-2-[dimethyl(phenyl)silyl]but-2-enyl]-N-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 11374604
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one (CID 72841991) is (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one is COC[C@@H]1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DFPOWYOEGCLGHH-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-11-14-8-5-9-18(14)16(20)10-19-15(12-23-17(19)21)13-6-3-2-4-7-13/h2-4,6-7,14-15H,5,8-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 318.37 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 72841991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).