argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane

C16H28Ar2N2O5 — CID 160884914

IUPACargon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane
SMILESC.C.CN1C[C@H](CO)OC1=O.CNC(=O)OCc1ccccc1.[Ar].[Ar]
InChIInChI=1S/C9H11NO2.C5H9NO3.2CH4.2Ar/c1-10-9(11)12-7-8-5-3-2-4-6-8;1-6-2-4(3-7)9-5(6)8;;;;/h2-6H,7H2,1H3,(H,10,11);4,7H,2-3H2,1H3;2*1H4;;/t;4-;;;;/m.1..../s1
InChIKeySNMYYCLHBHLSBJ-BXHDEHKLSA-N
MW408.31 g/mol
LogP2.24
Rot. Bonds3

About argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane

argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane (PubChem CID 160884914) has the molecular formula C16H28Ar2N2O5 and a molecular weight of 408.31 g/mol. Its IUPAC name is argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane.

Molecular Properties

Compound Nameargon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane
PubChem CID160884914
Molecular FormulaC16H28Ar2N2O5
Molecular Weight408.31 g/mol
Exact Mass408.12
IUPAC Nameargon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane
SMILESC.C.CN1C[C@H](CO)OC1=O.CNC(=O)OCc1ccccc1.[Ar].[Ar]
InChIInChI=1S/C9H11NO2.C5H9NO3.2CH4.2Ar/c1-10-9(11)12-7-8-5-3-2-4-6-8;1-6-2-4(3-7)9-5(6)8;;;;/h2-6H,7H2,1H3,(H,10,11);4,7H,2-3H2,1H3;2*1H4;;/t;4-;;;;/m.1..../s1
InChIKeySNMYYCLHBHLSBJ-BXHDEHKLSA-N
XLogP2.24
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
benzyl 4-[2,6-difluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboxylate
CID 91599707
benzyl 1-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 70019599
benzyl N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16920837
benzyl N-[1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate
CID 10665195
methyl (4S,5R)-4-benzyl-2-oxo-3-(phenylmethoxycarbonylamino)-1,3-oxazolidine-5-carboxylate
CID 101166780
benzyl N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 16921139
benzyl N-(methylamino)carbamate;hydrochloride
CID 24801390
benzyl N-(1-methyl-2-oxopiperidin-3-yl)carbamate
CID 58782089
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
benzyl N-[(4S,5R)-1-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamate
CID 67505125
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035

Frequently Asked Questions

What is the IUPAC name of argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane?
The IUPAC name of argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane (CID 160884914) is argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane.
What is the SMILES notation for argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane?
The canonical SMILES for argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane is C.C.CN1C[C@H](CO)OC1=O.CNC(=O)OCc1ccccc1.[Ar].[Ar].
What is the InChIKey of argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane?
The InChIKey is SNMYYCLHBHLSBJ-BXHDEHKLSA-N. The full InChI is InChI=1S/C9H11NO2.C5H9NO3.2CH4.2Ar/c1-10-9(11)12-7-8-5-3-2-4-6-8;1-6-2-4(3-7)9-5(6)8;;;;/h2-6H,7H2,1H3,(H,10,11);4,7H,2-3H2,1H3;2*1H4;;/t;4-;;;;/m.1..../s1.
What are the key properties of argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane?
argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane has a molecular weight of 408.31 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for argon;benzyl N-methylcarbamate;(5R)-5-(hydroxymethyl)-3-methyl-1,3-oxazolidin-2-one;methane is sourced from PubChem (CID 160884914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).