N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

C17H22N4O5S — CID 20706151

IUPACN-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)C1CCCN1C(=O)C(Cc1cscn1)NC(=O)C1NC(=O)OC1C
InChIInChI=1S/C17H22N4O5S/c1-9(22)13-4-3-5-21(13)16(24)12(6-11-7-27-8-18-11)19-15(23)14-10(2)26-17(25)20-14/h7-8,10,12-14H,3-6H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyHCKDMAAOAWFIKH-UHFFFAOYSA-N
MW394.45 g/mol
LogP0.25
Rot. Bonds6

About N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide

N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 20706151) has the molecular formula C17H22N4O5S and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID20706151
Molecular FormulaC17H22N4O5S
Molecular Weight394.45 g/mol
Exact Mass394.13
IUPAC NameN-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESCC(=O)C1CCCN1C(=O)C(Cc1cscn1)NC(=O)C1NC(=O)OC1C
InChIInChI=1S/C17H22N4O5S/c1-9(22)13-4-3-5-21(13)16(24)12(6-11-7-27-8-18-11)19-15(23)14-10(2)26-17(25)20-14/h7-8,10,12-14H,3-6H2,1-2H3,(H,19,23)(H,20,25)
InChIKeyHCKDMAAOAWFIKH-UHFFFAOYSA-N
XLogP0.25
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5S)-5-methyl-N-[(2S)-1-(2-methylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 153254154
(2S)-N-[1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 174386227
(2S)-1-[(2S)-2-[(2-chlorobenzoyl)amino]-3-(1,3-thiazol-4-yl)propanoyl]-N-[(2R,3R)-2-ethoxy-5-oxooxolan-3-yl]pyrrolidine-2-carboxamide
CID 11180170
1,3,5,5-tetramethyl-2-oxo-N-[1-oxo-1-pyrrolidin-5-id-1-yl-3-(1,3-thiazol-4-yl)propan-2-yl]imidazolidine-4-carboxamide;yttrium
CID 59973701
benzyl (2R)-2-[(2S)-2-amino-3-(1,3-thiazol-4-yl)propanoyl]-1-(5-methyl-2-oxo-1,3-oxazolidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 70213392
(2S,3R)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-3-methyl-5-oxopyrrolidine-2-carboxamide
CID 22846126
3-methyl-2-oxo-N-[1-oxo-1-pyrrolidin-5-id-1-yl-3-(1,3-thiazol-4-yl)propan-2-yl]-5-(2,2,2-trifluoroethyl)-1,3-oxazolidine-4-carboxamide;yttrium
CID 59973707
tert-butyl N-[(2S)-1-morpholin-4-yl-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamate
CID 91120666
2-(4-chlorophenyl)sulfanyl-N-[1-[2-(hydroxymethyl)piperidin-1-yl]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]acetamide
CID 10204465
(2S)-N-[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methyl-5-oxopyrrolidine-2-carboxamide
CID 54091495
[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-(1,3-thiazol-4-yl)propanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-2-yl]carbamic acid
CID 122639988
(2S)-1-[(2R)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 175691249

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 20706151) is N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is CC(=O)C1CCCN1C(=O)C(Cc1cscn1)NC(=O)C1NC(=O)OC1C.
What is the InChIKey of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is HCKDMAAOAWFIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5S/c1-9(22)13-4-3-5-21(13)16(24)12(6-11-7-27-8-18-11)19-15(23)14-10(2)26-17(25)20-14/h7-8,10,12-14H,3-6H2,1-2H3,(H,19,23)(H,20,25).
What are the key properties of N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide?
N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 394.45 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-acetylpyrrolidin-1-yl)-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]-5-methyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 20706151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).