3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole

C17H23N5O — CID 175649115

IUPAC3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CC3CC2CN3Cc2ccccn2)n1
InChIInChI=1S/C17H23N5O/c1-12(2)17-19-16(23-20-17)11-22-10-14-7-15(22)9-21(14)8-13-5-3-4-6-18-13/h3-6,12,14-15H,7-11H2,1-2H3
InChIKeyZBKYOMBINISHNV-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.05
Rot. Bonds5

About 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole

3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole (PubChem CID 175649115) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole
PubChem CID175649115
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CC3CC2CN3Cc2ccccn2)n1
InChIInChI=1S/C17H23N5O/c1-12(2)17-19-16(23-20-17)11-22-10-14-7-15(22)9-21(14)8-13-5-3-4-6-18-13/h3-6,12,14-15H,7-11H2,1-2H3
InChIKeyZBKYOMBINISHNV-UHFFFAOYSA-N
XLogP2.05
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-propan-2-yl-5-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53204191
3-propan-2-yl-5-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 91653847
5-[[3-[(5-bromo-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 172901736
[5-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine
CID 113319990
3-(2-methylpropyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 134018585
4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-N-(pyridin-2-ylmethyl)butanamide
CID 47029635
5-[(2,5-diethylpiperazin-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 64978789
5-[[2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 55828808
[(3R,4R)-4-phenyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120758554
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
(3S,7R)-3-methyl-2-(pyridin-2-ylmethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 110225830
5-[(2-methylbenzimidazol-1-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 112724026

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole (CID 175649115) is 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole is CC(C)c1noc(CN2CC3CC2CN3Cc2ccccn2)n1.
What is the InChIKey of 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is ZBKYOMBINISHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(2)17-19-16(23-20-17)11-22-10-14-7-15(22)9-21(14)8-13-5-3-4-6-18-13/h3-6,12,14-15H,7-11H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 313.40 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[[5-(pyridin-2-ylmethyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 175649115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).