5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole

C10H15N3O — CID 21476654

IUPAC5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CN3CCCC2C3)n1
InChIInChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-3-8(9)5-13/h8-9H,2-6H2,1H3
InChIKeyJGHBDPNRNBBJPC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.19
Rot. Bonds1

About 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole

5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 21476654) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID21476654
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CN3CCCC2C3)n1
InChIInChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-3-8(9)5-13/h8-9H,2-6H2,1H3
InChIKeyJGHBDPNRNBBJPC-UHFFFAOYSA-N
XLogP1.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662
3-methyl-5-[(3R)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-oxadiazole
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4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 59556428
(1-aminocyclopentyl)-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119112359
1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 124590894
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 70384934
CID 162193867
CID 162193867
5-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 94207638
3-methyl-5-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazole
CID 67986572
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole (CID 21476654) is 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CN3CCCC2C3)n1.
What is the InChIKey of 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is JGHBDPNRNBBJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7-11-10(14-12-7)9-6-13-4-2-3-8(9)5-13/h8-9H,2-6H2,1H3.
What are the key properties of 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole?
5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[3.2.1]octan-6-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 21476654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).