3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide

C20H27FN4O2 — CID 119825840

IUPAC3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C1CCNCC1
InChIInChI=1S/C20H27FN4O2/c1-3-12-25(16-8-10-22-11-9-16)19(26)7-6-18-23-20(24-27-18)15-4-5-17(21)14(2)13-15/h4-5,13,16,22H,3,6-12H2,1-2H3
InChIKeyVQLJHSSVTDHRIT-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.11
Rot. Bonds7

About 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide (PubChem CID 119825840) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide.

Molecular Properties

Compound Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
PubChem CID119825840
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide
SMILESCCCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C1CCNCC1
InChIInChI=1S/C20H27FN4O2/c1-3-12-25(16-8-10-22-11-9-16)19(26)7-6-18-23-20(24-27-18)15-4-5-17(21)14(2)13-15/h4-5,13,16,22H,3,6-12H2,1-2H3
InChIKeyVQLJHSSVTDHRIT-UHFFFAOYSA-N
XLogP3.11
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825839
N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119389757
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
N-ethyl-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-hydroxyethyl)propanamide
CID 110901182
2-[ethyl-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]acetic acid
CID 119205992
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 16779155
2-[3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]acetic acid
CID 119192893
N-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide
CID 120838741
N-[(2S)-2,3-dihydroxypropyl]-3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,3,3-trifluoropropyl)propanamide
CID 71908576
N-methyl-N-piperidin-4-yl-3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 119442118
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119443994

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide?
The IUPAC name of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide (CID 119825840) is 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide.
What is the SMILES notation for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide?
The canonical SMILES for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide is CCCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)C1CCNCC1.
What is the InChIKey of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide?
The InChIKey is VQLJHSSVTDHRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-3-12-25(16-8-10-22-11-9-16)19(26)7-6-18-23-20(24-27-18)15-4-5-17(21)14(2)13-15/h4-5,13,16,22H,3,6-12H2,1-2H3.
What are the key properties of 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide?
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide has a molecular weight of 374.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylpropanamide is sourced from PubChem (CID 119825840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).