3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole

C10H17N3O — CID 19908357

IUPAC3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole
SMILESCC1=CN(CC2CN3CCC2C3)NO1
InChIInChI=1S/C10H17N3O/c1-8-4-13(11-14-8)7-10-6-12-3-2-9(10)5-12/h4,9-11H,2-3,5-7H2,1H3
InChIKeyLMGCEHBEDATPSS-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.55
Rot. Bonds2

About 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole

3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole (PubChem CID 19908357) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole.

Molecular Properties

Compound Name3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole
PubChem CID19908357
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole
SMILESCC1=CN(CC2CN3CCC2C3)NO1
InChIInChI=1S/C10H17N3O/c1-8-4-13(11-14-8)7-10-6-12-3-2-9(10)5-12/h4,9-11H,2-3,5-7H2,1H3
InChIKeyLMGCEHBEDATPSS-UHFFFAOYSA-N
XLogP0.55
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4R)-3-tert-butyl-1-azabicyclo[2.2.1]heptane
CID 66827257
1-azabicyclo[2.2.1]heptan-3-amine;hydrochloride
CID 105429240
3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 19987335
3-[(1-methyltetrazol-5-yl)methyl]-1-azabicyclo[2.2.1]heptane
CID 139800110
(3R)-3-benzyl-1-azabicyclo[2.2.2]octane;ethane;toluene
CID 91106786
3-(5-methylfuran-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19432891
methane;(3S)-3-methyl-1-azabicyclo[2.2.2]octane
CID 158724020
ethyl 2-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]prop-2-enoate
CID 138718030
1-(1-azabicyclo[2.2.1]heptan-3-yl)-1-(2-methylphenyl)-3-phenylpropan-1-ol
CID 123345006
(3R,4R)-3-(5-methyltetrazol-2-yl)-1-azabicyclo[2.2.1]heptane
CID 58732567
3-(3-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 19784182
3-[(4-tert-butylphenoxy)methyl]-1-azabicyclo[2.2.2]octane
CID 57018133

Frequently Asked Questions

What is the IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole?
The IUPAC name of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole (CID 19908357) is 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole.
What is the SMILES notation for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole?
The canonical SMILES for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole is CC1=CN(CC2CN3CCC2C3)NO1.
What is the InChIKey of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole?
The InChIKey is LMGCEHBEDATPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8-4-13(11-14-8)7-10-6-12-3-2-9(10)5-12/h4,9-11H,2-3,5-7H2,1H3.
What are the key properties of 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole?
3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-azabicyclo[2.2.1]heptan-3-ylmethyl)-5-methyl-2H-oxadiazole is sourced from PubChem (CID 19908357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).