1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone

C23H26FN3O2 — CID 153271778

IUPAC1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3nnc(CC(=O)C4CCC(CCCF)CC4)cc3c2)o1
InChIInChI=1S/C23H26FN3O2/c1-15-25-14-23(29-15)18-8-9-21-19(11-18)12-20(26-27-21)13-22(28)17-6-4-16(5-7-17)3-2-10-24/h8-9,11-12,14,16-17H,2-7,10,13H2,1H3
InChIKeyWXGSRKICRVVYLL-UHFFFAOYSA-N
MW395.48 g/mol
LogP5.26
Rot. Bonds7

About 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone

1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone (PubChem CID 153271778) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
PubChem CID153271778
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
SMILESCc1ncc(-c2ccc3nnc(CC(=O)C4CCC(CCCF)CC4)cc3c2)o1
InChIInChI=1S/C23H26FN3O2/c1-15-25-14-23(29-15)18-8-9-21-19(11-18)12-20(26-27-21)13-22(28)17-6-4-16(5-7-17)3-2-10-24/h8-9,11-12,14,16-17H,2-7,10,13H2,1H3
InChIKeyWXGSRKICRVVYLL-UHFFFAOYSA-N
XLogP5.26
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone with MolForge

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Related Compounds

1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 159695966
1-(4-methoxypiperidin-1-yl)-3-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]propan-2-one
CID 148679772
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]cyclohexane-1-carboxamide
CID 138587043
1-[4-(3,3-difluoropropyl)cyclohexyl]-2-[7-(2-methyl-1,3-oxazol-5-yl)quinazolin-2-yl]ethanone
CID 160960640
1-[4-[(4-methylpiperazin-1-yl)methyl]cyclohexyl]-2-[6-(1,3-oxazol-5-yl)cinnolin-3-yl]ethanone
CID 159551559
1-[(1R,5S)-3-(3-fluoropropyl)-8-azabicyclo[3.2.1]octan-8-yl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 159600305
tert-butyl N-methyl-N-[4-[2-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]acetyl]cyclohexyl]carbamate
CID 160831567
1-[4-(hydroxymethyl)cyclohexyl]-2-[2-(2-methyl-1,3-oxazol-5-yl)-1,6-naphthyridin-7-yl]ethanone
CID 159890258
1-[4-[bis(trideuteriomethyl)amino]cyclohexyl]-2-[3-(2-methyl-1,3-oxazol-5-yl)-1,7-naphthyridin-6-yl]ethanone
CID 153101172
4-(1,3-difluoropropan-2-ylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588241
1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147553586
4-(2-fluoroethylamino)-N-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]piperidine-1-carboxamide
CID 138588499

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
The IUPAC name of 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone (CID 153271778) is 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone is Cc1ncc(-c2ccc3nnc(CC(=O)C4CCC(CCCF)CC4)cc3c2)o1.
What is the InChIKey of 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
The InChIKey is WXGSRKICRVVYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-15-25-14-23(29-15)18-8-9-21-19(11-18)12-20(26-27-21)13-22(28)17-6-4-16(5-7-17)3-2-10-24/h8-9,11-12,14,16-17H,2-7,10,13H2,1H3.
What are the key properties of 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone?
1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone has a molecular weight of 395.48 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluoropropyl)cyclohexyl]-2-[6-(2-methyl-1,3-oxazol-5-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 153271778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).