(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

C18H24N4O2 — CID 166520603

IUPAC(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
SMILESCC1(C)CC(C2(C)C3CN(C(=O)c4cn(C5CC5)cn4)CC32)=NO1
InChIInChI=1S/C18H24N4O2/c1-17(2)6-15(20-24-17)18(3)12-7-21(8-13(12)18)16(23)14-9-22(10-19-14)11-4-5-11/h9-13H,4-8H2,1-3H3
InChIKeyYTBUTMFDMVPZNY-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.48
Rot. Bonds3

About (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

(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 (PubChem CID 166520603) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID166520603
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name(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
SMILESCC1(C)CC(C2(C)C3CN(C(=O)c4cn(C5CC5)cn4)CC32)=NO1
InChIInChI=1S/C18H24N4O2/c1-17(2)6-15(20-24-17)18(3)12-7-21(8-13(12)18)16(23)14-9-22(10-19-14)11-4-5-11/h9-13H,4-8H2,1-3H3
InChIKeyYTBUTMFDMVPZNY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(1-cyclopropylimidazol-4-yl)-morpholin-4-ylmethanone
CID 141277117
[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
[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
1-(1-cyclohexylimidazol-4-yl)-2-methylpropan-1-one
CID 83889565
1-(1-methylpyrrolidin-3-yl)imidazole-4-carboxylic acid
CID 130481802
(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
[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
2-[1-(2-aminoethyl)imidazole-4-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 107499557
(1S,5R)-3-(1-propan-2-ylimidazole-4-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
CID 175860922
3-[1-(1-piperidin-4-ylimidazole-4-carbonyl)piperidin-4-yl]oxypropanoic acid;dihydrochloride
CID 18969441

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)CC(C2(C)C3CN(C(=O)c4cn(C5CC5)cn4)CC32)=NO1.
What is the InChIKey of (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?
The InChIKey is YTBUTMFDMVPZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-17(2)6-15(20-24-17)18(3)12-7-21(8-13(12)18)16(23)14-9-22(10-19-14)11-4-5-11/h9-13H,4-8H2,1-3H3.
What are the key properties of (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?
(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 has a molecular weight of 328.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 166520603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).