(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C26H30FN3O4 — CID 165140611

IUPAC(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C26H30FN3O4/c1-17(2)18-8-10-20(11-9-18)24(19-6-4-3-5-7-19)28-25(32)22-14-21(27)15-30(22)23(31)16-29-12-13-34-26(29)33/h3-11,17,21-22,24H,12-16H2,1-2H3,(H,28,32)/t21-,22+,24+/m1/s1
InChIKeyRPAIEBXYOQNWHW-GPXNEJASSA-N
MW467.54 g/mol
LogP3.41
Rot. Bonds7

About (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165140611) has the molecular formula C26H30FN3O4 and a molecular weight of 467.54 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID165140611
Molecular FormulaC26H30FN3O4
Molecular Weight467.54 g/mol
Exact Mass467.22
IUPAC Name(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)CN2CCOC2=O)c2ccccc2)cc1
InChIInChI=1S/C26H30FN3O4/c1-17(2)18-8-10-20(11-9-18)24(19-6-4-3-5-7-19)28-25(32)22-14-21(27)15-30(22)23(31)16-29-12-13-34-26(29)33/h3-11,17,21-22,24H,12-16H2,1-2H3,(H,28,32)/t21-,22+,24+/m1/s1
InChIKeyRPAIEBXYOQNWHW-GPXNEJASSA-N
XLogP3.41
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165140611) is (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is CC(C)c1ccc([C@@H](NC(=O)[C@@H]2C[C@@H](F)CN2C(=O)CN2CCOC2=O)c2ccccc2)cc1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RPAIEBXYOQNWHW-GPXNEJASSA-N. The full InChI is InChI=1S/C26H30FN3O4/c1-17(2)18-8-10-20(11-9-18)24(19-6-4-3-5-7-19)28-25(32)22-14-21(27)15-30(22)23(31)16-29-12-13-34-26(29)33/h3-11,17,21-22,24H,12-16H2,1-2H3,(H,28,32)/t21-,22+,24+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 467.54 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[2-(2-oxo-1,3-oxazolidin-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165140611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).