2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole

C12H19N3O — CID 176763956

IUPAC2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2C(C(C)C)CC3CC32)o1
InChIInChI=1S/C12H19N3O/c1-7(2)10-4-9-5-11(9)15(10)6-12-14-13-8(3)16-12/h7,9-11H,4-6H2,1-3H3
InChIKeyWODIEEHWIWYUQX-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.00
Rot. Bonds3

About 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole

2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole (PubChem CID 176763956) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole
PubChem CID176763956
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(CN2C(C(C)C)CC3CC32)o1
InChIInChI=1S/C12H19N3O/c1-7(2)10-4-9-5-11(9)15(10)6-12-14-13-8(3)16-12/h7,9-11H,4-6H2,1-3H3
InChIKeyWODIEEHWIWYUQX-UHFFFAOYSA-N
XLogP2.00
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.00
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-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole (CID 176763956) is 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole is Cc1nnc(CN2C(C(C)C)CC3CC32)o1.
What is the InChIKey of 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is WODIEEHWIWYUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7(2)10-4-9-5-11(9)15(10)6-12-14-13-8(3)16-12/h7,9-11H,4-6H2,1-3H3.
What are the key properties of 2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(3-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.00, 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-propan-2-yl-2-azabicyclo[3.1.0]hexan-2-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 176763956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).