tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate

C19H31N3O5S — CID 134874953

IUPACtert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@H](c1nccs1)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O5S/c1-17(2,3)26-15(23)21-13(14-20-9-10-28-14)12-11-25-19(7,8)22(12)16(24)27-18(4,5)6/h9-10,12-13H,11H2,1-8H3,(H,21,23)/t12-,13+/m0/s1
InChIKeySPOAUDDKTZPBDF-QWHCGFSZSA-N
MW413.54 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 134874953) has the molecular formula C19H31N3O5S and a molecular weight of 413.54 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate
PubChem CID134874953
Molecular FormulaC19H31N3O5S
Molecular Weight413.54 g/mol
Exact Mass413.20
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N[C@@H](c1nccs1)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H31N3O5S/c1-17(2,3)26-15(23)21-13(14-20-9-10-28-14)12-11-25-19(7,8)22(12)16(24)27-18(4,5)6/h9-10,12-13H,11H2,1-8H3,(H,21,23)/t12-,13+/m0/s1
InChIKeySPOAUDDKTZPBDF-QWHCGFSZSA-N
XLogP4.08
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[2-(1,3-Thiazol-2-yl)propan-2-ylamino]propyl]-1,3-oxazolidin-2-one
CID 71986833
3-(2-methylpropoxy)-N-[1-(1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 75380007
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 N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate
CID 134874893
tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate
CID 134874932
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
Tert-butyl 3-[[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxylate
CID 57855138
(4S,5S)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
CID 59135148
(4S,5R)-3-tert-butyl-4-methyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidin-2-one
CID 59135163

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of 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) is tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N[C@@H](c1nccs1)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is SPOAUDDKTZPBDF-QWHCGFSZSA-N. The full InChI is InChI=1S/C19H31N3O5S/c1-17(2,3)26-15(23)21-13(14-20-9-10-28-14)12-11-25-19(7,8)22(12)16(24)27-18(4,5)6/h9-10,12-13H,11H2,1-8H3,(H,21,23)/t12-,13+/m0/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 413.54 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134874953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).