tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate

C14H26N2O4 — CID 57231236

IUPACtert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@H]1OCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-9-10(11(17)15-13(2,3)4)16(8-19-9)12(18)20-14(5,6)7/h9-10H,8H2,1-7H3,(H,15,17)/t9-,10+/m1/s1
InChIKeyUHYMBSIDYVEVCN-ZJUUUORDSA-N
MW286.37 g/mol
LogP1.88
Rot. Bonds1

About tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate (PubChem CID 57231236) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate
PubChem CID57231236
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nametert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@H]1OCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N2O4/c1-9-10(11(17)15-13(2,3)4)16(8-19-9)12(18)20-14(5,6)7/h9-10H,8H2,1-7H3,(H,15,17)/t9-,10+/m1/s1
InChIKeyUHYMBSIDYVEVCN-ZJUUUORDSA-N
XLogP1.88
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-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

Related Compounds

tert-butyl (2R,4S)-2-tert-butyl-4-carbamoyl-4-methyl-1,3-oxazolidine-3-carboxylate
CID 101965596
tert-butyl N-[(2S,3R)-1-[(2S,4S)-2-cyano-4-fluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 69351773
tert-butyl N-[(2S,3R)-1-[(2S,4S)-2-carbamoyl-4-fluoropyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]carbamate
CID 69352818
tert-butyl N-[(2S)-1-[[(2S,3R)-1-[(2S)-2-[(fluoroamino)methyl]pyrrolidin-1-yl]-3-methoxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 144232799
tert-butyl N-[(2R)-1-oxo-1-[3-(trifluoromethoxy)pyrrolidin-1-yl]propan-2-yl]carbamate
CID 178127090
tert-Butyl (4S,5R)-4-carbamoyl-2,2,5-trimethyloxazolidine-3-carboxylate
CID 11470899
tert-butyl (2S)-2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 14805854
tert-butyl (S)-4-carbamoyl-2,2-dimethyloxazolidine-3-carboxylate
CID 53248641
Tert-butyl 2-(2-methoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 4021272
tert-butyl (4S,5R)-4-[methoxy(methyl)carbamoyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
CID 10017802
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]carbamate
CID 10753691
Tert-butyl 2-[(1-methoxy-2-methyl-1-oxopropan-2-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 14805853

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate (CID 57231236) is tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate is C[C@H]1OCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NC(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is UHYMBSIDYVEVCN-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9-10(11(17)15-13(2,3)4)16(8-19-9)12(18)20-14(5,6)7/h9-10H,8H2,1-7H3,(H,15,17)/t9-,10+/m1/s1.
What are the key properties of tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-(tert-butylcarbamoyl)-5-methyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 57231236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).