2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide

C15H17N3O3S — CID 134997830

IUPAC2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc([C@@H]2C[C@H](CO)N(Cc3ccccc3)O2)n1
InChIInChI=1S/C15H17N3O3S/c16-14(20)12-9-22-15(17-12)13-6-11(8-19)18(21-13)7-10-4-2-1-3-5-10/h1-5,9,11,13,19H,6-8H2,(H2,16,20)/t11-,13+/m1/s1
InChIKeyLOOCUGWFBXVNOP-YPMHNXCESA-N
MW319.39 g/mol
LogP1.48
Rot. Bonds5

About 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide

2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 134997830) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID134997830
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide
SMILESNC(=O)c1csc([C@@H]2C[C@H](CO)N(Cc3ccccc3)O2)n1
InChIInChI=1S/C15H17N3O3S/c16-14(20)12-9-22-15(17-12)13-6-11(8-19)18(21-13)7-10-4-2-1-3-5-10/h1-5,9,11,13,19H,6-8H2,(H2,16,20)/t11-,13+/m1/s1
InChIKeyLOOCUGWFBXVNOP-YPMHNXCESA-N
XLogP1.48
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

ethyl 2-[(3S,5S)-2-benzyl-5-[(1R)-1,2-dihydroxyethyl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 11516409
ethyl 2-[(3R,5S)-2-benzyl-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 11654635
2-[(2R,3R,4R)-3,4-dihydroxyoxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 102094566
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
[(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl benzoate
CID 11501455
2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 16915429
2-[(2R,3R,4S,5R)-3-azido-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 10334117
2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-thiazole-4-carboxamide;1,4-dioxido-1,2,4-benzotriazine-1,4-diium-3-amine
CID 174553424
[2-(1-amino-2-phenylethyl)-1,3-thiazol-4-yl]-(2,5-dihydropyrrol-1-yl)methanone
CID 3813109
2-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46948435
[[(2S,3R,4S,5S)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(4-carbamoyl-1,3-thiazol-2-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 90663693
methyl 3-[2-[(2S)-4-benzylmorpholin-2-yl]-1,3-thiazol-4-yl]propanoate
CID 99843497

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide (CID 134997830) is 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide is NC(=O)c1csc([C@@H]2C[C@H](CO)N(Cc3ccccc3)O2)n1.
What is the InChIKey of 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is LOOCUGWFBXVNOP-YPMHNXCESA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-14(20)12-9-22-15(17-12)13-6-11(8-19)18(21-13)7-10-4-2-1-3-5-10/h1-5,9,11,13,19H,6-8H2,(H2,16,20)/t11-,13+/m1/s1.
What are the key properties of 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide?
2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5S)-2-benzyl-3-(hydroxymethyl)-1,2-oxazolidin-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134997830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).