tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H33NO6 — CID 67903626

IUPACtert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)O[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1
InChIInChI=1S/C19H33NO6/c1-18(2,3)26-16(21)20-14(12-13-10-8-7-9-11-13)15(24-17(22)23-6)25-19(20,4)5/h13-15H,7-12H2,1-6H3/t14-,15-/m0/s1
InChIKeyJYBNHAZUPBEFNW-GJZGRUSLSA-N
MW371.47 g/mol
LogP4.44
Rot. Bonds3

About tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 67903626) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID67903626
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Nametert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)O[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1
InChIInChI=1S/C19H33NO6/c1-18(2,3)26-16(21)20-14(12-13-10-8-7-9-11-13)15(24-17(22)23-6)25-19(20,4)5/h13-15H,7-12H2,1-6H3/t14-,15-/m0/s1
InChIKeyJYBNHAZUPBEFNW-GJZGRUSLSA-N
XLogP4.44
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 67903626) is tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)O[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CC1CCCCC1.
What is the InChIKey of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is JYBNHAZUPBEFNW-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H33NO6/c1-18(2,3)26-16(21)20-14(12-13-10-8-7-9-11-13)15(24-17(22)23-6)25-19(20,4)5/h13-15H,7-12H2,1-6H3/t14-,15-/m0/s1.
What are the key properties of tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 371.47 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-(cyclohexylmethyl)-5-methoxycarbonyloxy-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 67903626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).