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

C18H27N5O2 — CID 168678774

IUPAC[(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCCN1C(C2[C@H]3CN(C(=O)c4cn(C(C)C)cn4)C[C@@H]23)=NOC1(C)C
InChIInChI=1S/C18H27N5O2/c1-6-23-16(20-25-18(23,4)5)15-12-7-21(8-13(12)15)17(24)14-9-22(10-19-14)11(2)3/h9-13,15H,6-8H2,1-5H3/t12-,13+,15?
InChIKeyZUUAPHURZXOPCR-NNQSOWQGSA-N
MW345.45 g/mol
LogP2.18
Rot. Bonds4

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

[(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 168678774) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID168678774
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCCN1C(C2[C@H]3CN(C(=O)c4cn(C(C)C)cn4)C[C@@H]23)=NOC1(C)C
InChIInChI=1S/C18H27N5O2/c1-6-23-16(20-25-18(23,4)5)15-12-7-21(8-13(12)15)17(24)14-9-22(10-19-14)11(2)3/h9-13,15H,6-8H2,1-5H3/t12-,13+,15?
InChIKeyZUUAPHURZXOPCR-NNQSOWQGSA-N
XLogP2.18
TPSA62.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 168678774) is [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone is CCN1C(C2[C@H]3CN(C(=O)c4cn(C(C)C)cn4)C[C@@H]23)=NOC1(C)C.
What is the InChIKey of [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is ZUUAPHURZXOPCR-NNQSOWQGSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-6-23-16(20-25-18(23,4)5)15-12-7-21(8-13(12)15)17(24)14-9-22(10-19-14)11(2)3/h9-13,15H,6-8H2,1-5H3/t12-,13+,15?.
What are the key properties of [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-6-(4-ethyl-5,5-dimethyl-1,2,4-oxadiazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 168678774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).