benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

C18H21N3O3 — CID 171410240

IUPACbenzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCc1nc(C2(CNC(=O)OCc3ccccc3)[C@@H]3CNC[C@@H]32)co1
InChIInChI=1S/C18H21N3O3/c1-12-21-16(10-23-12)18(14-7-19-8-15(14)18)11-20-17(22)24-9-13-5-3-2-4-6-13/h2-6,10,14-15,19H,7-9,11H2,1H3,(H,20,22)/t14-,15+,18?
InChIKeyCRTYOJYRMAKBEJ-MVVMVCHASA-N
MW327.38 g/mol
LogP2.00
Rot. Bonds5

About benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate

benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (PubChem CID 171410240) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
PubChem CID171410240
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Namebenzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
SMILESCc1nc(C2(CNC(=O)OCc3ccccc3)[C@@H]3CNC[C@@H]32)co1
InChIInChI=1S/C18H21N3O3/c1-12-21-16(10-23-12)18(14-7-19-8-15(14)18)11-20-17(22)24-9-13-5-3-2-4-6-13/h2-6,10,14-15,19H,7-9,11H2,1H3,(H,20,22)/t14-,15+,18?
InChIKeyCRTYOJYRMAKBEJ-MVVMVCHASA-N
XLogP2.00
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[[(1S,6R,7S)-7-(1,2-oxazol-3-yl)-3-azabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410036
benzyl N-[(2-methyl-1,3-oxazol-4-yl)methyl]carbamate
CID 110714627
benzyl N-[(7-pyrimidin-2-yl-3-azabicyclo[4.1.0]heptan-7-yl)methyl]carbamate
CID 164850769
benzyl N-[[7-(3-methyl-1,2-oxazol-5-yl)-3-azoniabicyclo[4.1.0]heptan-7-yl]methyl]carbamate
CID 171410221
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
CID 131866293
(6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl N-benzylcarbamate
CID 164860541
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
tert-butyl N-[[(1R,5S)-6-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate
CID 170430375
benzyl N-[[(2S)-6,6-dimethylmorpholin-2-yl]methyl]carbamate
CID 154726666
benzyl N-[(3-amino-1-methylcyclobutyl)methyl]carbamate
CID 135396711
benzyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 135307059

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The IUPAC name of benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate (CID 171410240) is benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The canonical SMILES for benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is Cc1nc(C2(CNC(=O)OCc3ccccc3)[C@@H]3CNC[C@@H]32)co1.
What is the InChIKey of benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
The InChIKey is CRTYOJYRMAKBEJ-MVVMVCHASA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-21-16(10-23-12)18(14-7-19-8-15(14)18)11-20-17(22)24-9-13-5-3-2-4-6-13/h2-6,10,14-15,19H,7-9,11H2,1H3,(H,20,22)/t14-,15+,18?.
What are the key properties of benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate?
benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate has a molecular weight of 327.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(1R,5S)-6-(2-methyl-1,3-oxazol-4-yl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]carbamate is sourced from PubChem (CID 171410240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).