(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide

C21H21N3O5 — CID 94441390

IUPAC(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C21H21N3O5/c25-18-9-2-1-7-16(18)20(27)24-10-4-8-17(24)19(26)22-14-5-3-6-15(13-14)23-11-12-29-21(23)28/h1-3,5-7,9,13,17,25H,4,8,10-12H2,(H,22,26)/t17-/m1/s1
InChIKeyJFEYUICYNRRFHB-QGZVFWFLSA-N
MW395.42 g/mol
LogP2.59
Rot. Bonds4

About (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide

(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 94441390) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID94441390
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CCCN1C(=O)c1ccccc1O
InChIInChI=1S/C21H21N3O5/c25-18-9-2-1-7-16(18)20(27)24-10-4-8-17(24)19(26)22-14-5-3-6-15(13-14)23-11-12-29-21(23)28/h1-3,5-7,9,13,17,25H,4,8,10-12H2,(H,22,26)/t17-/m1/s1
InChIKeyJFEYUICYNRRFHB-QGZVFWFLSA-N
XLogP2.59
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-N-(4-methoxyphenyl)-1-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 52539601
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 154745583
(3S)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidine-3-carboxamide
CID 81118205
(2S)-1-(2-fluorobenzoyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 42194479
1-amino-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]cyclopentane-1-carboxamide
CID 60852641
N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-phenylacetamide
CID 110874037
1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126786111
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 51213620
tert-butyl (2S)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 51126858
tert-butyl 2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
CID 75614054
(2R)-2-(5-methyl-1,2-oxazol-3-yl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-1-carboxamide
CID 95157820
(4aR,8aS)-3-oxo-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2,4,4a,5,6,7,8,8a-octahydroquinoxaline-1-carboxamide
CID 96541607

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide (CID 94441390) is (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1CCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is JFEYUICYNRRFHB-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-18-9-2-1-7-16(18)20(27)24-10-4-8-17(24)19(26)22-14-5-3-6-15(13-14)23-11-12-29-21(23)28/h1-3,5-7,9,13,17,25H,4,8,10-12H2,(H,22,26)/t17-/m1/s1.
What are the key properties of (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide?
(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94441390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).