tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H24N2O4S — CID 91421571

IUPACtert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C[C@@H](O)c2nccs2)COC1(C)C
InChIInChI=1S/C15H24N2O4S/c1-14(2,3)21-13(19)17-10(9-20-15(17,4)5)8-11(18)12-16-6-7-22-12/h6-7,10-11,18H,8-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyZEGCSNTVSMRTPE-WDEREUQCSA-N
MW328.43 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 91421571) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID91421571
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Nametert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C[C@@H](O)c2nccs2)COC1(C)C
InChIInChI=1S/C15H24N2O4S/c1-14(2,3)21-13(19)17-10(9-20-15(17,4)5)8-11(18)12-16-6-7-22-12/h6-7,10-11,18H,8-9H2,1-5H3/t10-,11+/m0/s1
InChIKeyZEGCSNTVSMRTPE-WDEREUQCSA-N
XLogP2.94
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 59543997
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 91421571) is tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C[C@@H](O)c2nccs2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZEGCSNTVSMRTPE-WDEREUQCSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-14(2,3)21-13(19)17-10(9-20-15(17,4)5)8-11(18)12-16-6-7-22-12/h6-7,10-11,18H,8-9H2,1-5H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 328.43 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(2R)-2-hydroxy-2-(1,3-thiazol-2-yl)ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 91421571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).