tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate

C17H25NO3 — CID 10637333

IUPACtert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate
SMILESC[C@H]1CCO[C@@H](Cc2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-13-10-11-20-15(12-14-8-6-5-7-9-14)18(13)16(19)21-17(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m0/s1
InChIKeyAFUVZJSWJZAFAG-ZFWWWQNUSA-N
MW291.39 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate

tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate (PubChem CID 10637333) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate
PubChem CID10637333
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate
SMILESC[C@H]1CCO[C@@H](Cc2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H25NO3/c1-13-10-11-20-15(12-14-8-6-5-7-9-14)18(13)16(19)21-17(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m0/s1
InChIKeyAFUVZJSWJZAFAG-ZFWWWQNUSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-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

[3-(dimethylamino)-8-phenyloctyl] N,N-dimethylcarbamate
CID 122189551
3-(2-Methylpiperidin-1-yl)propyl phenylacetate
CID 45156
tert-Butyl 4-(benzyloxy)piperidine-1-carboxylate
CID 11694980
[3-(dimethylamino)-6-phenylhexyl] N,N-dimethylcarbamate
CID 122189549
[3-(dimethylamino)-7-phenylheptyl] N,N-dimethylcarbamate
CID 122189550
4-(4-Ethylbenzyl)-1,2,5-trimethyl-4-piperidinyl propionate
CID 580255
Piperidine, 1-(beta-butoxyphenethyl)-, hydrochloride
CID 205055
Ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate
CID 12542659
Methyl 2-benzyl-3-hydroxypiperidine-1-carboxylate
CID 44413822
3-(2-phenylethyl)-8-(tetrahydro-2H-pyran-3-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70766401
3-[(2-hydroxy-3-phenylpropyl)-methylamino]butyl N,N-dimethylcarbamate
CID 122189543
3-[methyl(3-phenylpropyl)amino]butyl N,N-dimethylcarbamate
CID 122189544

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate (CID 10637333) is tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate is C[C@H]1CCO[C@@H](Cc2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate?
The InChIKey is AFUVZJSWJZAFAG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-10-11-20-15(12-14-8-6-5-7-9-14)18(13)16(19)21-17(2,3)4/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate?
tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-2-benzyl-4-methyl-1,3-oxazinane-3-carboxylate is sourced from PubChem (CID 10637333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).