tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C16H24N2O5S — CID 170541842

IUPACtert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)c1csc(C2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H24N2O5S/c1-9-11(12-17-10(8-24-12)13(19)21-7)18(16(5,6)22-9)14(20)23-15(2,3)4/h8-9,11H,1-7H3/t9-,11?/m1/s1
InChIKeyKVEOGFNMRLMCDY-BFHBGLAWSA-N
MW356.44 g/mol
LogP3.36
Rot. Bonds2

About tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 170541842) has the molecular formula C16H24N2O5S and a molecular weight of 356.44 g/mol. Its IUPAC name is tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID170541842
Molecular FormulaC16H24N2O5S
Molecular Weight356.44 g/mol
Exact Mass356.14
IUPAC Nametert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)c1csc(C2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C16H24N2O5S/c1-9-11(12-17-10(8-24-12)13(19)21-7)18(16(5,6)22-9)14(20)23-15(2,3)4/h8-9,11H,1-7H3/t9-,11?/m1/s1
InChIKeyKVEOGFNMRLMCDY-BFHBGLAWSA-N
XLogP3.36
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 170541842) is tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)c1csc(C2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is KVEOGFNMRLMCDY-BFHBGLAWSA-N. The full InChI is InChI=1S/C16H24N2O5S/c1-9-11(12-17-10(8-24-12)13(19)21-7)18(16(5,6)22-9)14(20)23-15(2,3)4/h8-9,11H,1-7H3/t9-,11?/m1/s1.
What are the key properties of tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 356.44 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-4-(4-methoxycarbonyl-1,3-thiazol-2-yl)-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 170541842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).