N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

C18H23N5O2 — CID 171141508

IUPACN-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCNC(=O)N1C2CCC1CC(c1nc(-c3cccnc3)no1)C2
InChIInChI=1S/C18H23N5O2/c1-2-7-20-18(24)23-14-5-6-15(23)10-13(9-14)17-21-16(22-25-17)12-4-3-8-19-11-12/h3-4,8,11,13-15H,2,5-7,9-10H2,1H3,(H,20,24)
InChIKeyZVXPPHICRFQCSP-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.96
Rot. Bonds4

About N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 171141508) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID171141508
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCCCNC(=O)N1C2CCC1CC(c1nc(-c3cccnc3)no1)C2
InChIInChI=1S/C18H23N5O2/c1-2-7-20-18(24)23-14-5-6-15(23)10-13(9-14)17-21-16(22-25-17)12-4-3-8-19-11-12/h3-4,8,11,13-15H,2,5-7,9-10H2,1H3,(H,20,24)
InChIKeyZVXPPHICRFQCSP-UHFFFAOYSA-N
XLogP2.96
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide with MolForge

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Related Compounds

N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 171148673
N-propyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 86771713
3-hydroxy-N-propyl-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 648116
5-[8-(3-fluoro-4-methylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 171148663
ethyl 3-[[4-oxo-8-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,5-diazacycloundecane-1-carbonyl]amino]propanoate
CID 110200559
3-pyridin-3-yl-1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 91768791
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849653
5-[(3R)-1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95849658
(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225015
N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]acetamide
CID 25338468
N-[(3S,5S)-1-methyl-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 25338478

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (CID 171141508) is N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.
What is the SMILES notation for N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is CCCNC(=O)N1C2CCC1CC(c1nc(-c3cccnc3)no1)C2.
What is the InChIKey of N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is ZVXPPHICRFQCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-7-20-18(24)23-14-5-6-15(23)10-13(9-14)17-21-16(22-25-17)12-4-3-8-19-11-12/h3-4,8,11,13-15H,2,5-7,9-10H2,1H3,(H,20,24).
What are the key properties of N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 171141508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).