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

C18H27N5O2 — CID 167524491

IUPAC[6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCCN1C(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)=NOC1(C)C
InChIInChI=1S/C18H27N5O2/c1-6-23-16(21-25-18(23,4)5)15-11-8-22(9-12(11)15)17(24)14-7-13(10(2)3)19-20-14/h7,10-12,15H,6,8-9H2,1-5H3,(H,19,20)
InChIKeyWNMSAEZBWGERAJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.25
Rot. Bonds4

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

[6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 167524491) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID167524491
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCCN1C(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)=NOC1(C)C
InChIInChI=1S/C18H27N5O2/c1-6-23-16(21-25-18(23,4)5)15-11-8-22(9-12(11)15)17(24)14-7-13(10(2)3)19-20-14/h7,10-12,15H,6,8-9H2,1-5H3,(H,19,20)
InChIKeyWNMSAEZBWGERAJ-UHFFFAOYSA-N
XLogP2.25
TPSA73.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 167524491) is [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-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-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is CCN1C(C2C3CN(C(=O)c4cc(C(C)C)[nH]n4)CC32)=NOC1(C)C.
What is the InChIKey of [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is WNMSAEZBWGERAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-6-23-16(21-25-18(23,4)5)15-11-8-22(9-12(11)15)17(24)14-7-13(10(2)3)19-20-14/h7,10-12,15H,6,8-9H2,1-5H3,(H,19,20).
What are the key properties of [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 167524491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).