(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

C17H19N3O5S — CID 50851621

IUPAC(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1cc(CNC(=O)[C@@H]2COC(=O)N2Cc2nccs2)cc(OC)c1
InChIInChI=1S/C17H19N3O5S/c1-23-12-5-11(6-13(7-12)24-2)8-19-16(21)14-10-25-17(22)20(14)9-15-18-3-4-26-15/h3-7,14H,8-10H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyABOWOUHXFSDMST-AWEZNQCLSA-N
MW377.42 g/mol
LogP1.80
Rot. Bonds7

About (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide

(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (PubChem CID 50851621) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
PubChem CID50851621
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
SMILESCOc1cc(CNC(=O)[C@@H]2COC(=O)N2Cc2nccs2)cc(OC)c1
InChIInChI=1S/C17H19N3O5S/c1-23-12-5-11(6-13(7-12)24-2)8-19-16(21)14-10-25-17(22)20(14)9-15-18-3-4-26-15/h3-7,14H,8-10H2,1-2H3,(H,19,21)/t14-/m0/s1
InChIKeyABOWOUHXFSDMST-AWEZNQCLSA-N
XLogP1.80
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[(4S)-4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851613
(4S)-2-oxo-N-(2-phenylethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851924
(4S)-3-[(3-methoxyphenyl)methyl]-2-oxo-N-(pyridin-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851331
(4S)-3-[(4-methoxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851251
(4S)-N-[(3-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851281
(4S)-2-oxo-N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851295
methyl 4-[[(4S)-4-[(3-methoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851178
(4S)-3-[(3-methoxyphenyl)methyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851942
(4S)-N-[(2-methoxyphenyl)methyl]-2-oxo-3-(thiophen-2-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851245
methyl 3-[[(4S)-2-oxo-4-(pyridin-4-ylmethylcarbamoyl)-1,3-oxazolidin-3-yl]methyl]benzoate
CID 50851275
(4S)-3-[(3-methoxyphenyl)methyl]-N-(oxan-4-yl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851931
(4S)-3-[(3-hydroxyphenyl)methyl]-2-oxo-N-(pyridin-4-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851294

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide (CID 50851621) is (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is COc1cc(CNC(=O)[C@@H]2COC(=O)N2Cc2nccs2)cc(OC)c1.
What is the InChIKey of (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
The InChIKey is ABOWOUHXFSDMST-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-23-12-5-11(6-13(7-12)24-2)8-19-16(21)14-10-25-17(22)20(14)9-15-18-3-4-26-15/h3-7,14H,8-10H2,1-2H3,(H,19,21)/t14-/m0/s1.
What are the key properties of (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide?
(4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(3,5-dimethoxyphenyl)methyl]-2-oxo-3-(1,3-thiazol-2-ylmethyl)-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).