[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 167524461

IUPAC[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCc1cc(C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)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
InChIKeyBQTJLFOVNLUPFY-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.25
Rot. Bonds3

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

[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 167524461) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is [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[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
PubChem CID167524461
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name[6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone
SMILESCc1cc(C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)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
InChIKeyBQTJLFOVNLUPFY-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [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 [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone (CID 167524461) is [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 [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 [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(C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)no1.
What is the InChIKey of [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-UHFFFAOYSA-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.
What are the key properties of [6-(5-methyl-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-(1-propan-2-ylimidazol-4-yl)methanone?
[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 [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 167524461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).