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

C22H22FN5O2 — CID 171148673

IUPACN-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1C2CCC1CC(c1nc(-c3cccnc3)no1)C2
InChIInChI=1S/C22H22FN5O2/c1-13-18(23)5-2-6-19(13)25-22(29)28-16-7-8-17(28)11-15(10-16)21-26-20(27-30-21)14-4-3-9-24-12-14/h2-6,9,12,15-17H,7-8,10-11H2,1H3,(H,25,29)
InChIKeyHEDRUZRZTLIVQP-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.52
Rot. Bonds3

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

N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide (PubChem CID 171148673) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
PubChem CID171148673
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC NameN-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
SMILESCc1c(F)cccc1NC(=O)N1C2CCC1CC(c1nc(-c3cccnc3)no1)C2
InChIInChI=1S/C22H22FN5O2/c1-13-18(23)5-2-6-19(13)25-22(29)28-16-7-8-17(28)11-15(10-16)21-26-20(27-30-21)14-4-3-9-24-12-14/h2-6,9,12,15-17H,7-8,10-11H2,1H3,(H,25,29)
InChIKeyHEDRUZRZTLIVQP-UHFFFAOYSA-N
XLogP4.52
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-fluoro-2-methylphenyl)-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-propyl-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 171141508
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
N-(2,5-dimethylphenyl)-3-methyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 156601928
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
(3S)-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 7219016
(4S)-1-(3-fluoro-4-methylphenyl)-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 41015242
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 50780218
[(1R,3S,4S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-azabicyclo[2.2.1]heptan-2-yl]-pyridin-3-ylmethanone
CID 92570388
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
3-pyridin-3-yl-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917646
N-(2,3-dimethylphenyl)-2-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 78832807

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The IUPAC name of 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) is N-(3-fluoro-2-methylphenyl)-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-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The canonical SMILES for N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is Cc1c(F)cccc1NC(=O)N1C2CCC1CC(c1nc(-c3cccnc3)no1)C2.
What is the InChIKey of N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
The InChIKey is HEDRUZRZTLIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-13-18(23)5-2-6-19(13)25-22(29)28-16-7-8-17(28)11-15(10-16)21-26-20(27-30-21)14-4-3-9-24-12-14/h2-6,9,12,15-17H,7-8,10-11H2,1H3,(H,25,29).
What are the key properties of N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide?
N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2-methylphenyl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide is sourced from PubChem (CID 171148673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).