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

C15H21N5O2 — CID 168860950

IUPAC[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol
SMILESCc1nnc(C2C3CN(C(O)c4cc(C(C)C)n[nH]4)CC32)o1
InChIInChI=1S/C15H21N5O2/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/h4,7,9-10,13,15,21H,5-6H2,1-3H3,(H,17,18)
InChIKeyXHWQJAZIRYVZPD-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.56
Rot. Bonds4

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

[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol (PubChem CID 168860950) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol.

Molecular Properties

Compound Name[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol
PubChem CID168860950
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol
SMILESCc1nnc(C2C3CN(C(O)c4cc(C(C)C)n[nH]4)CC32)o1
InChIInChI=1S/C15H21N5O2/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/h4,7,9-10,13,15,21H,5-6H2,1-3H3,(H,17,18)
InChIKeyXHWQJAZIRYVZPD-UHFFFAOYSA-N
XLogP1.56
TPSA91.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol?
The IUPAC name of [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol (CID 168860950) is [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol.
What is the SMILES notation for [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol?
The canonical SMILES for [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol is Cc1nnc(C2C3CN(C(O)c4cc(C(C)C)n[nH]4)CC32)o1.
What is the InChIKey of [6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol?
The InChIKey is XHWQJAZIRYVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/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/h4,7,9-10,13,15,21H,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]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol?
[6-(5-methyl-1,3,4-oxadiazol-2-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol has a molecular weight of 303.37 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 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]-(3-propan-2-yl-1H-pyrazol-5-yl)methanol is sourced from PubChem (CID 168860950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).