(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C13H17N3O4S — CID 50851295

IUPAC(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCC1CCCO1)[C@@H]1COC(=O)N1Cc1nccs1
InChIInChI=1S/C13H17N3O4S/c17-12(15-6-9-2-1-4-19-9)10-8-20-13(18)16(10)7-11-14-3-5-21-11/h3,5,9-10H,1-2,4,6-8H2,(H,15,17)/t9?,10-/m0/s1
InChIKeyZKJCIHSPRIEGKU-AXDSSHIGSA-N
MW311.36 g/mol
LogP0.76
Rot. Bonds5

About (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851295) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851295
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESO=C(NCC1CCCO1)[C@@H]1COC(=O)N1Cc1nccs1
InChIInChI=1S/C13H17N3O4S/c17-12(15-6-9-2-1-4-19-9)10-8-20-13(18)16(10)7-11-14-3-5-21-11/h3,5,9-10H,1-2,4,6-8H2,(H,15,17)/t9?,10-/m0/s1
InChIKeyZKJCIHSPRIEGKU-AXDSSHIGSA-N
XLogP0.76
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide with MolForge

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Related Compounds

(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
1-(oxan-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284247
4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-one
CID 115786489
5-oxo-N-(oxolan-2-ylmethyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 135786463
N'-[[(2S)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 7224314
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
1-[(2-fluorophenyl)methyl]-5-oxo-N-(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 91956097
N'-(1,3-benzodioxol-5-yl)-N'-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 645788
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 92662175
N-[[(2R)-oxolan-2-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 1071352
1-[(3-bromothiophen-2-yl)methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95310612

Frequently Asked Questions

What is the IUPAC name of (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851295) is (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is O=C(NCC1CCCO1)[C@@H]1COC(=O)N1Cc1nccs1.
What is the InChIKey of (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is ZKJCIHSPRIEGKU-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H17N3O4S/c17-12(15-6-9-2-1-4-19-9)10-8-20-13(18)16(10)7-11-14-3-5-21-11/h3,5,9-10H,1-2,4,6-8H2,(H,15,17)/t9?,10-/m0/s1.
What are the key properties of (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).