(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one

C11H16N2O2S — CID 59135163

IUPAC(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](c2nccs2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C11H16N2O2S/c1-7-8(9-12-5-6-16-9)15-10(14)13(7)11(2,3)4/h5-8H,1-4H3/t7-,8+/m0/s1
InChIKeyUPEFGSJMVBLGIR-JGVFFNPUSA-N
MW240.33 g/mol
LogP2.82
Rot. Bonds1

About (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one

(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (PubChem CID 59135163) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
PubChem CID59135163
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@H](c2nccs2)OC(=O)N1C(C)(C)C
InChIInChI=1S/C11H16N2O2S/c1-7-8(9-12-5-6-16-9)15-10(14)13(7)11(2,3)4/h5-8H,1-4H3/t7-,8+/m0/s1
InChIKeyUPEFGSJMVBLGIR-JGVFFNPUSA-N
XLogP2.82
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,1-Dimethylpyrrolidin-1-ium-3-yl)oxymethyl]-1,3-thiazole formate
CID 137637047
2-[([1,3]-Thiazol-2-yl)hydroxymethyl]-1-N-(tert-butoxycarbonyl)-(2S)-pyrrolidine
CID 10265907
3-[3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
CID 71986833
tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate
CID 10358160
tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11141557
tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 134874953
tert-butyl (4S)-2,2-dimethyl-4-[(S)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 134875832
tert-butyl (4S)-2,2-dimethyl-4-[(R)-1,3-thiazol-2-yl(trimethylsilyloxy)methyl]-1,3-oxazolidine-3-carboxylate
CID 134923011
Tert-butyl 4-[hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15599685
1-[3-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-3-ium-2-yl]ethyl acetate
CID 21021971
1-[3-(2-Oxo-2-pyrrolidin-1-ylethyl)-1,3-thiazol-3-ium-2-yl]ethyl acetate bromide
CID 22220848
4-[(2-Methoxy-ethyl)-thiazol-2-ylmethyl-amino]-piperidine-1-carboxylic acid tert-butyl ester
CID 57494025

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one (CID 59135163) is (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is C[C@H]1[C@H](c2nccs2)OC(=O)N1C(C)(C)C.
What is the InChIKey of (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is UPEFGSJMVBLGIR-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-7-8(9-12-5-6-16-9)15-10(14)13(7)11(2,3)4/h5-8H,1-4H3/t7-,8+/m0/s1.
What are the key properties of (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one?
(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 240.33 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59135163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).