methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate

C20H27NO5 — CID 101184077

IUPACmethyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]([C@H]2COC3(CCCCC3)O2)N(Cc2ccccc2)O1
InChIInChI=1S/C20H27NO5/c1-23-19(22)17-12-16(21(26-17)13-15-8-4-2-5-9-15)18-14-24-20(25-18)10-6-3-7-11-20/h2,4-5,8-9,16-18H,3,6-7,10-14H2,1H3/t16-,17+,18+/m0/s1
InChIKeyJUWWMGATOGMBMH-RCCFBDPRSA-N
MW361.44 g/mol
LogP2.81
Rot. Bonds4

About methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate

methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate (PubChem CID 101184077) has the molecular formula C20H27NO5 and a molecular weight of 361.44 g/mol. Its IUPAC name is methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate
PubChem CID101184077
Molecular FormulaC20H27NO5
Molecular Weight361.44 g/mol
Exact Mass361.19
IUPAC Namemethyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]([C@H]2COC3(CCCCC3)O2)N(Cc2ccccc2)O1
InChIInChI=1S/C20H27NO5/c1-23-19(22)17-12-16(21(26-17)13-15-8-4-2-5-9-15)18-14-24-20(25-18)10-6-3-7-11-20/h2,4-5,8-9,16-18H,3,6-7,10-14H2,1H3/t16-,17+,18+/m0/s1
InChIKeyJUWWMGATOGMBMH-RCCFBDPRSA-N
XLogP2.81
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-[(3S,5S)-2-benzyl-5-methoxycarbonyl-1,2-oxazolidin-3-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11567970
(3S,4S)-1-benzyl-4-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-3-[(1R)-1-hydroxyethyl]azetidin-2-one
CID 139795486
methyl (3R,5S)-3-anthracen-9-yl-2-benzyl-1,2-oxazolidine-5-carboxylate
CID 11610966
(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
CID 102406016
methyl (3S,5S)-2-benzyl-3-[(2S,3S)-3-ethenyl-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1,2-oxazolidine-5-carboxylate
CID 101200884
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3-phenylpropanamide
CID 7423508
(1S,2R,6S,7S,8R)-10-benzyl-4,4-dimethyl-3,5,9-trioxa-10-azatricyclo[6.2.1.02,6]undecan-7-ol
CID 139206220
methyl (2R,3S)-2-(2-chlorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 118151803
N-[1-[(3S,5R)-2-benzyl-3-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl]-2-oxopyrimidin-4-yl]acetamide
CID 24851034
ethyl 2-[(3R,5S)-2-benzyl-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-3-yl]-1,3-thiazole-4-carboxylate
CID 11654635
4-(1,4-dioxaspiro[4.5]decan-3-yl)-1-(4-methoxyphenyl)azetidin-2-one
CID 11834088
methyl 4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carboxylate
CID 135018378

Frequently Asked Questions

What is the IUPAC name of methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate (CID 101184077) is methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate is COC(=O)[C@H]1C[C@@H]([C@H]2COC3(CCCCC3)O2)N(Cc2ccccc2)O1.
What is the InChIKey of methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate?
The InChIKey is JUWWMGATOGMBMH-RCCFBDPRSA-N. The full InChI is InChI=1S/C20H27NO5/c1-23-19(22)17-12-16(21(26-17)13-15-8-4-2-5-9-15)18-14-24-20(25-18)10-6-3-7-11-20/h2,4-5,8-9,16-18H,3,6-7,10-14H2,1H3/t16-,17+,18+/m0/s1.
What are the key properties of methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate?
methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate has a molecular weight of 361.44 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,5R)-2-benzyl-3-[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 101184077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).