tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate

C13H19N3O3 — CID 167214494

IUPACtert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(c3nnco3)CC1C2
InChIInChI=1S/C13H19N3O3/c1-12(2,3)19-11(17)15-9-6-13(4-8(9)5-13)10-16-14-7-18-10/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyAMGXISDPBOAYAG-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate

tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate (PubChem CID 167214494) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate
PubChem CID167214494
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nametert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(c3nnco3)CC1C2
InChIInChI=1S/C13H19N3O3/c1-12(2,3)19-11(17)15-9-6-13(4-8(9)5-13)10-16-14-7-18-10/h7-9H,4-6H2,1-3H3,(H,15,17)
InChIKeyAMGXISDPBOAYAG-UHFFFAOYSA-N
XLogP2.01
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-(1,3,4-oxadiazol-2-ylmethyl)cyclobutyl]carbamate
CID 155352533
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
(1S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 59781617
tert-butyl N-[(2S)-2-(dimethylamino)cyclopentyl]carbamate
CID 143692343
benzyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1,3,4-oxadiazol-2-yl)cyclohexyl]carbamate
CID 68591844
(1S,6S)-3-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid
CID 134429716
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 83919551
tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate?
The IUPAC name of tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate (CID 167214494) is tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate is CC(C)(C)OC(=O)NC1CC2(c3nnco3)CC1C2.
What is the InChIKey of tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate?
The InChIKey is AMGXISDPBOAYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-12(2,3)19-11(17)15-9-6-13(4-8(9)5-13)10-16-14-7-18-10/h7-9H,4-6H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate?
tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate has a molecular weight of 265.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(1,3,4-oxadiazol-2-yl)-2-bicyclo[2.1.1]hexanyl]carbamate is sourced from PubChem (CID 167214494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).