[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone

C18H24N4O2 — CID 166838352

IUPAC[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone
SMILESCC1(C)CC(C2[C@H]3CN(C(=O)c4cn(C5(C)CC5)cn4)C[C@@H]23)=NO1
InChIInChI=1S/C18H24N4O2/c1-17(2)6-13(20-24-17)15-11-7-21(8-12(11)15)16(23)14-9-22(10-19-14)18(3)4-5-18/h9-12,15H,4-8H2,1-3H3/t11-,12+,15?
InChIKeyWMJCYAIGKJYBIT-ODOQXGPZSA-N
MW328.42 g/mol
LogP2.27
Rot. Bonds3

About [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone

[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone (PubChem CID 166838352) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone
PubChem CID166838352
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone
SMILESCC1(C)CC(C2[C@H]3CN(C(=O)c4cn(C5(C)CC5)cn4)C[C@@H]23)=NO1
InChIInChI=1S/C18H24N4O2/c1-17(2)6-13(20-24-17)15-11-7-21(8-12(11)15)16(23)14-9-22(10-19-14)18(3)4-5-18/h9-12,15H,4-8H2,1-3H3/t11-,12+,15?
InChIKeyWMJCYAIGKJYBIT-ODOQXGPZSA-N
XLogP2.27
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone?
The IUPAC name of [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone (CID 166838352) is [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone.
What is the SMILES notation for [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone?
The canonical SMILES for [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone is CC1(C)CC(C2[C@H]3CN(C(=O)c4cn(C5(C)CC5)cn4)C[C@@H]23)=NO1.
What is the InChIKey of [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone?
The InChIKey is WMJCYAIGKJYBIT-ODOQXGPZSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-17(2)6-13(20-24-17)15-11-7-21(8-12(11)15)16(23)14-9-22(10-19-14)18(3)4-5-18/h9-12,15H,4-8H2,1-3H3/t11-,12+,15?.
What are the key properties of [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone?
[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone has a molecular weight of 328.42 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclopropyl)imidazol-4-yl]methanone is sourced from PubChem (CID 166838352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).