(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C17H25N5O2 — CID 168678773

IUPAC(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)N4C)[C@@H]3C2)c1
InChIInChI=1S/C17H25N5O2/c1-10(2)22-8-13(18-9-22)16(23)21-6-11-12(7-21)14(11)15-19-24-17(3,4)20(15)5/h8-12,14H,6-7H2,1-5H3/t11-,12+,14?
InChIKeyKPTGVIIQAARMAH-ONXXMXGDSA-N
MW331.42 g/mol
LogP1.79
Rot. Bonds3

About (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone

(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 168678773) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID168678773
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCC(C)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)N4C)[C@@H]3C2)c1
InChIInChI=1S/C17H25N5O2/c1-10(2)22-8-13(18-9-22)16(23)21-6-11-12(7-21)14(11)15-19-24-17(3,4)20(15)5/h8-12,14H,6-7H2,1-5H3/t11-,12+,14?
InChIKeyKPTGVIIQAARMAH-ONXXMXGDSA-N
XLogP1.79
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 168678773) is (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is CC(C)n1cnc(C(=O)N2C[C@@H]3C(C4=NOC(C)(C)N4C)[C@@H]3C2)c1.
What is the InChIKey of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is KPTGVIIQAARMAH-ONXXMXGDSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-10(2)22-8-13(18-9-22)16(23)21-6-11-12(7-21)14(11)15-19-24-17(3,4)20(15)5/h8-12,14H,6-7H2,1-5H3/t11-,12+,14?.
What are the key properties of (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 331.42 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-(4,5,5-trimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 168678773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).