N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C21H31N5O2 — CID 156754685

IUPACN-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1noc(N2C3CCC2CC(N2CC4C(C2)C4C(=O)NC2(C)CCC2)C3)n1
InChIInChI=1S/C21H31N5O2/c1-12-22-20(28-24-12)26-13-4-5-14(26)9-15(8-13)25-10-16-17(11-25)18(16)19(27)23-21(2)6-3-7-21/h13-18H,3-11H2,1-2H3,(H,23,27)
InChIKeyPFILDEFIHIXRAT-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.11
Rot. Bonds4

About N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 156754685) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID156754685
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC NameN-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCc1noc(N2C3CCC2CC(N2CC4C(C2)C4C(=O)NC2(C)CCC2)C3)n1
InChIInChI=1S/C21H31N5O2/c1-12-22-20(28-24-12)26-13-4-5-14(26)9-15(8-13)25-10-16-17(11-25)18(16)19(27)23-21(2)6-3-7-21/h13-18H,3-11H2,1-2H3,(H,23,27)
InChIKeyPFILDEFIHIXRAT-UHFFFAOYSA-N
XLogP2.11
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

azepan-1-yl-[1-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]piperidin-4-yl]methanone
CID 146279257
(1S,5R)-N,N-diethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-2-azaspiro[3.3]heptan-6-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 146279185
N-tert-butyl-1-[(1R,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide
CID 171600992
N-tert-butyl-1-[(1R,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrochloride
CID 171600997
N-tert-butyl-1-[(1R,5S)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride
CID 174238467
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
1-[(1S,5R)-8-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]-8-azabicyclo[3.2.1]octan-3-yl]piperidine-4-carboxamide;hydrate;hydrochloride
CID 175782206
N-(1-methylcyclopropyl)cyclopropanecarboxamide
CID 115634337
4,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 146123022
[2,6-dimethyl-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]piperidin-1-yl] ethyl carbonate
CID 153377376
[(2R)-4,4-difluoro-1-[1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)azepan-4-yl]piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 146279260
1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899475

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 156754685) is N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is Cc1noc(N2C3CCC2CC(N2CC4C(C2)C4C(=O)NC2(C)CCC2)C3)n1.
What is the InChIKey of N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is PFILDEFIHIXRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-12-22-20(28-24-12)26-13-4-5-14(26)9-15(8-13)25-10-16-17(11-25)18(16)19(27)23-21(2)6-3-7-21/h13-18H,3-11H2,1-2H3,(H,23,27).
What are the key properties of N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-3-[8-(3-methyl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-3-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 156754685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).