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

C20H21FN4O — CID 166360940

IUPAC1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine
SMILESCc1cc(-c2noc(-c3ccccc3N3CCC(N)CC3)n2)ccc1F
InChIInChI=1S/C20H21FN4O/c1-13-12-14(6-7-17(13)21)19-23-20(26-24-19)16-4-2-3-5-18(16)25-10-8-15(22)9-11-25/h2-7,12,15H,8-11,22H2,1H3
InChIKeyKGAWEPQYYRQAJO-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.78
Rot. Bonds3

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

1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine (PubChem CID 166360940) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine
PubChem CID166360940
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine
SMILESCc1cc(-c2noc(-c3ccccc3N3CCC(N)CC3)n2)ccc1F
InChIInChI=1S/C20H21FN4O/c1-13-12-14(6-7-17(13)21)19-23-20(26-24-19)16-4-2-3-5-18(16)25-10-8-15(22)9-11-25/h2-7,12,15H,8-11,22H2,1H3
InChIKeyKGAWEPQYYRQAJO-UHFFFAOYSA-N
XLogP3.78
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine?
The IUPAC name of 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine (CID 166360940) is 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine is Cc1cc(-c2noc(-c3ccccc3N3CCC(N)CC3)n2)ccc1F.
What is the InChIKey of 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine?
The InChIKey is KGAWEPQYYRQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-12-14(6-7-17(13)21)19-23-20(26-24-19)16-4-2-3-5-18(16)25-10-8-15(22)9-11-25/h2-7,12,15H,8-11,22H2,1H3.
What are the key properties of 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine?
1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine has a molecular weight of 352.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]piperidin-4-amine is sourced from PubChem (CID 166360940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).