[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C15H19N5O2 — CID 166520466

IUPAC[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nnc(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)o1
InChIInChI=1S/C15H19N5O2/c1-7(2)11-4-12(18-17-11)15(21)20-5-9-10(6-20)13(9)14-19-16-8(3)22-14/h4,7,9-10,13H,5-6H2,1-3H3,(H,17,18)
InChIKeyCYFAMTDXPAULQB-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.71
Rot. Bonds3

About [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 166520466) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID166520466
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nnc(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)o1
InChIInChI=1S/C15H19N5O2/c1-7(2)11-4-12(18-17-11)15(21)20-5-9-10(6-20)13(9)14-19-16-8(3)22-14/h4,7,9-10,13H,5-6H2,1-3H3,(H,17,18)
InChIKeyCYFAMTDXPAULQB-UHFFFAOYSA-N
XLogP1.71
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 166520466) is [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1nnc(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)o1.
What is the InChIKey of [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is CYFAMTDXPAULQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-7(2)11-4-12(18-17-11)15(21)20-5-9-10(6-20)13(9)14-19-16-8(3)22-14/h4,7,9-10,13H,5-6H2,1-3H3,(H,17,18).
What are the key properties of [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 166520466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).