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

C14H22N2O4S — CID 11141557

IUPACtert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H](O)c2nccs2)COC1(C)C
InChIInChI=1S/C14H22N2O4S/c1-13(2,3)20-12(18)16-9(8-19-14(16,4)5)10(17)11-15-6-7-21-11/h6-7,9-10,17H,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyDZPVRXJJHOGXCG-UWVGGRQHSA-N
MW314.41 g/mol
LogP2.55
Rot. Bonds2

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

tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11141557) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11141557
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]([C@H](O)c2nccs2)COC1(C)C
InChIInChI=1S/C14H22N2O4S/c1-13(2,3)20-12(18)16-9(8-19-14(16,4)5)10(17)11-15-6-7-21-11/h6-7,9-10,17H,8H2,1-5H3/t9-,10-/m0/s1
InChIKeyDZPVRXJJHOGXCG-UWVGGRQHSA-N
XLogP2.55
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

2-[([1,3]-Thiazol-2-yl)hydroxymethyl]-1-N-(tert-butoxycarbonyl)-(2S)-pyrrolidine
CID 10265907
tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate
CID 10358160
tert-butyl (4S,5S)-5-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 134831521
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
Iwqajtzkbitqkv-aejsxwlssa-
CID 23243526
Tert-butyl 4-[hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15599685
1-Boc-4-(Hydroxythiazol-2-yl-methyl)piperidine
CID 18539256
Tert-butyl 3-[hydroxy(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 57855147
2-(1-(Tert-butoxycarbonyl)-3-(thiazol-2-yl)pyrrolidin-3-yloxy)acetic acid
CID 58513728
Tert-butyl 3-(2-hydroxyethoxy)-3-(thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58513754

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 11141557) is tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H]([C@H](O)c2nccs2)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is DZPVRXJJHOGXCG-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-13(2,3)20-12(18)16-9(8-19-14(16,4)5)10(17)11-15-6-7-21-11/h6-7,9-10,17H,8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 314.41 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(S)-hydroxy(1,3-thiazol-2-yl)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11141557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).