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

C19H26N4O2 — CID 167524467

IUPAC[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone
SMILESCC1(C)CC(C2C3CN(C(=O)c4cn(C5(C)CCC5)cn4)CC32)=NO1
InChIInChI=1S/C19H26N4O2/c1-18(2)7-14(21-25-18)16-12-8-22(9-13(12)16)17(24)15-10-23(11-20-15)19(3)5-4-6-19/h10-13,16H,4-9H2,1-3H3
InChIKeyYAYFKEGUWFAWSQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.66
Rot. Bonds3

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

[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone (PubChem CID 167524467) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone.

Molecular Properties

Compound Name[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone
PubChem CID167524467
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone
SMILESCC1(C)CC(C2C3CN(C(=O)c4cn(C5(C)CCC5)cn4)CC32)=NO1
InChIInChI=1S/C19H26N4O2/c1-18(2)7-14(21-25-18)16-12-8-22(9-13(12)16)17(24)15-10-23(11-20-15)19(3)5-4-6-19/h10-13,16H,4-9H2,1-3H3
InChIKeyYAYFKEGUWFAWSQ-UHFFFAOYSA-N
XLogP2.66
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

[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 166520663
[1-[(1S)-1-cyclopentylethyl]imidazol-4-yl]-[(1S,5R)-6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 175860919
(1-cyclopropylimidazol-4-yl)-[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166520603
(1-propan-2-ylimidazol-4-yl)-[(1R,5S)-6-[(4S)-4,5,5-trimethyl-4H-1,2-oxazol-3-yl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 175866737
1-(1-methylcyclopropyl)imidazole-4-carboxylic acid
CID 130481843
1-(3-methyloxan-3-yl)imidazole-4-carboxylic acid
CID 130481881
(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175860922
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(1-methylimidazol-4-yl)methanone
CID 114022742
(3,5-dimethylpiperazin-1-yl)-(1-methylimidazol-4-yl)methanone
CID 20703295
(1-methylimidazol-4-yl)-pyrrolidin-1-ylmethanone
CID 20703282
[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1-methylimidazol-4-yl)methanone
CID 124969063
(3,4-dihydroxypyrrolidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378752

Frequently Asked Questions

What is the IUPAC name of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone?
The IUPAC name of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone (CID 167524467) is [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone.
What is the SMILES notation for [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone?
The canonical SMILES for [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone is CC1(C)CC(C2C3CN(C(=O)c4cn(C5(C)CCC5)cn4)CC32)=NO1.
What is the InChIKey of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone?
The InChIKey is YAYFKEGUWFAWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-18(2)7-14(21-25-18)16-12-8-22(9-13(12)16)17(24)15-10-23(11-20-15)19(3)5-4-6-19/h10-13,16H,4-9H2,1-3H3.
What are the key properties of [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone?
[6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone has a molecular weight of 342.44 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5,5-dimethyl-4H-1,2-oxazol-3-yl)-3-azabicyclo[3.1.0]hexan-3-yl]-[1-(1-methylcyclobutyl)imidazol-4-yl]methanone is sourced from PubChem (CID 167524467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).