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

C16H20N4O2 — CID 168678772

IUPAC[(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCc1cc(C2[C@H]3CN(C(=O)c4cn(C(C)C)cn4)C[C@@H]23)no1
InChIInChI=1S/C16H20N4O2/c1-9(2)20-7-14(17-8-20)16(21)19-5-11-12(6-19)15(11)13-4-10(3)22-18-13/h4,7-9,11-12,15H,5-6H2,1-3H3/t11-,12+,15?
InChIKeyBQTJLFOVNLUPFY-ODOQXGPZSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds3

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

[(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (PubChem CID 168678772) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID168678772
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCc1cc(C2[C@H]3CN(C(=O)c4cn(C(C)C)cn4)C[C@@H]23)no1
InChIInChI=1S/C16H20N4O2/c1-9(2)20-7-14(17-8-20)16(21)19-5-11-12(6-19)15(11)13-4-10(3)22-18-13/h4,7-9,11-12,15H,5-6H2,1-3H3/t11-,12+,15?
InChIKeyBQTJLFOVNLUPFY-ODOQXGPZSA-N
XLogP2.25
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-6-(5-methyl-1,2-oxazol-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 [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The IUPAC name of [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 168678772) is [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone.
What is the SMILES notation for [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The canonical SMILES for [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone is Cc1cc(C2[C@H]3CN(C(=O)c4cn(C(C)C)cn4)C[C@@H]23)no1.
What is the InChIKey of [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
The InChIKey is BQTJLFOVNLUPFY-ODOQXGPZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-9(2)20-7-14(17-8-20)16(21)19-5-11-12(6-19)15(11)13-4-10(3)22-18-13/h4,7-9,11-12,15H,5-6H2,1-3H3/t11-,12+,15?.
What are the key properties of [(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[(1S,5R)-6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone has a molecular weight of 300.36 g/mol, XLogP of 2.25, 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-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone is sourced from PubChem (CID 168678772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).