N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide

C16H19N3O4 — CID 174783029

IUPACN-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide
SMILESO=CNC1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O4/c20-11-17-14-7-4-8-18(14)15(21)9-19-13(10-23-16(19)22)12-5-2-1-3-6-12/h1-3,5-6,11,13-14H,4,7-10H2,(H,17,20)/t13-,14?/m1/s1
InChIKeyBYGBSIYZPCRHGV-KWCCSABGSA-N
MW317.34 g/mol
LogP0.87
Rot. Bonds5

About N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide

N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide (PubChem CID 174783029) has the molecular formula C16H19N3O4 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide.

Molecular Properties

Compound NameN-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide
PubChem CID174783029
Molecular FormulaC16H19N3O4
Molecular Weight317.34 g/mol
Exact Mass317.14
IUPAC NameN-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide
SMILESO=CNC1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C16H19N3O4/c20-11-17-14-7-4-8-18(14)15(21)9-19-13(10-23-16(19)22)12-5-2-1-3-6-12/h1-3,5-6,11,13-14H,4,7-10H2,(H,17,20)/t13-,14?/m1/s1
InChIKeyBYGBSIYZPCRHGV-KWCCSABGSA-N
XLogP0.87
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-[2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72841991
(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
(2S)-1-[(2S)-5-amino-2-[[2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)acetyl]amino]pentanoyl]pyrrolidine-2-carboxylic acid
CID 11293396
(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-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(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
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
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
N-[1-(thiophene-2-carbonyl)pyrrolidin-2-yl]formamide
CID 174675622
3-methyl-1-(2-phenylpyrrolidin-1-yl)butan-1-one
CID 110871522

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide?
The IUPAC name of N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide (CID 174783029) is N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide.
What is the SMILES notation for N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide?
The canonical SMILES for N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide is O=CNC1CCCN1C(=O)CN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide?
The InChIKey is BYGBSIYZPCRHGV-KWCCSABGSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-11-17-14-7-4-8-18(14)15(21)9-19-13(10-23-16(19)22)12-5-2-1-3-6-12/h1-3,5-6,11,13-14H,4,7-10H2,(H,17,20)/t13-,14?/m1/s1.
What are the key properties of N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide?
N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide has a molecular weight of 317.34 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide is sourced from PubChem (CID 174783029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).