benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

C15H21NO3 — CID 138980716

IUPACbenzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1COC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)14-10-18-12(3)16(14)15(17)19-9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12?,14-/m1/s1
InChIKeyAECROHQMNSAWFY-TYZXPVIJSA-N
MW263.34 g/mol
LogP3.03
Rot. Bonds3

About benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate

benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 138980716) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID138980716
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)[C@H]1COC(C)N1C(=O)OCc1ccccc1
InChIInChI=1S/C15H21NO3/c1-11(2)14-10-18-12(3)16(14)15(17)19-9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12?,14-/m1/s1
InChIKeyAECROHQMNSAWFY-TYZXPVIJSA-N
XLogP3.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
benzyl 2,4-dimethyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 10198836
benzyl (2R,6S)-4,4-difluoro-2,6-dimethylpiperidine-1-carboxylate
CID 175946154
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085
benzyl (4S)-5-hydroxy-4-propan-2-yl-1,3-oxazolidine-3-carboxylate
CID 11737177
1-O-benzyl 2-O,5-O-diethyl (2S,5R)-pyrrolidine-1,2,5-tricarboxylate
CID 126495779
1-O-benzyl 2-O,5-O-diethyl pyrrolidine-1,2,5-tricarboxylate
CID 135148581
3-hydroxy-5-methyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 155894007
(2R)-1-[(4R)-2-hydroxy-4-propan-2-yl-1,3-oxazolidin-3-yl]-2,3-dimethyl-5-phenylmethoxypentan-1-one
CID 171791512
5-O-benzyl 4-O-methyl (1R,4S,6S)-2-oxa-5-azabicyclo[4.1.0]heptane-4,5-dicarboxylate
CID 68577718
(2R,4S,6R)-4,6-dimethyl-1-phenylmethoxycarbonylpiperidine-2-carboxylic acid
CID 178202280
1-O-benzyl 2-O-methyl (2R,5R)-5-carbamoylpyrrolidine-1,2-dicarboxylate
CID 57408271

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 138980716) is benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is CC(C)[C@H]1COC(C)N1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is AECROHQMNSAWFY-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H21NO3/c1-11(2)14-10-18-12(3)16(14)15(17)19-9-13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3/t12?,14-/m1/s1.
What are the key properties of benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate?
benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-2-methyl-4-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 138980716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).