3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide

C19H26FN4O2+ — CID 9293283

IUPAC3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
SMILESCCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C19H25FN4O2/c1-2-11-24-12-9-16(10-13-24)21-17(25)7-8-18-22-19(23-26-18)14-3-5-15(20)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,21,25)/p+1
InChIKeySECIYTVPZVJTQZ-UHFFFAOYSA-O
MW361.44 g/mol
LogP1.38
Rot. Bonds7

About 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide (PubChem CID 9293283) has the molecular formula C19H26FN4O2+ and a molecular weight of 361.44 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
PubChem CID9293283
Molecular FormulaC19H26FN4O2+
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide
SMILESCCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1
InChIInChI=1S/C19H25FN4O2/c1-2-11-24-12-9-16(10-13-24)21-17(25)7-8-18-22-19(23-26-18)14-3-5-15(20)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,21,25)/p+1
InChIKeySECIYTVPZVJTQZ-UHFFFAOYSA-O
XLogP1.38
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46559142
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-hydroxycyclohexyl)butanamide
CID 110890082
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 27256344
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119386389
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 8964239
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-1-prop-2-enoylpiperidin-3-yl]propanamide
CID 172888708
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 9210789
3-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 16616471

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide (CID 9293283) is 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide is CCC[NH+]1CCC(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide?
The InChIKey is SECIYTVPZVJTQZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H25FN4O2/c1-2-11-24-12-9-16(10-13-24)21-17(25)7-8-18-22-19(23-26-18)14-3-5-15(20)6-4-14/h3-6,16H,2,7-13H2,1H3,(H,21,25)/p+1.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide?
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide has a molecular weight of 361.44 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(1-propylpiperidin-1-ium-4-yl)propanamide is sourced from PubChem (CID 9293283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).