2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole

C14H23N3O — CID 176677538

IUPAC2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CC23CC(C)CC(C2)N3C(C)C)o1
InChIInChI=1S/C14H23N3O/c1-9(2)17-12-5-10(3)6-14(17,7-12)8-13-16-15-11(4)18-13/h9-10,12H,5-8H2,1-4H3
InChIKeyGJVNAKPMUQKFAR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole

2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 176677538) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID176677538
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CC23CC(C)CC(C2)N3C(C)C)o1
InChIInChI=1S/C14H23N3O/c1-9(2)17-12-5-10(3)6-14(17,7-12)8-13-16-15-11(4)18-13/h9-10,12H,5-8H2,1-4H3
InChIKeyGJVNAKPMUQKFAR-UHFFFAOYSA-N
XLogP2.57
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole (CID 176677538) is 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(CC23CC(C)CC(C2)N3C(C)C)o1.
What is the InChIKey of 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is GJVNAKPMUQKFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)17-12-5-10(3)6-14(17,7-12)8-13-16-15-11(4)18-13/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(3-methyl-6-propan-2-yl-6-azabicyclo[3.1.1]heptan-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 176677538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).