[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine

C21H23FN4O — CID 120892557

IUPAC[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(C3CCCN(Cc4cccc(F)c4)C3)n2)cc1
InChIInChI=1S/C21H23FN4O/c22-19-5-1-3-16(11-19)13-26-10-2-4-18(14-26)21-24-20(25-27-21)17-8-6-15(12-23)7-9-17/h1,3,5-9,11,18H,2,4,10,12-14,23H2
InChIKeyYCCDPUBJUNALGH-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.71
Rot. Bonds5

About [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine

[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine (PubChem CID 120892557) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
PubChem CID120892557
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2noc(C3CCCN(Cc4cccc(F)c4)C3)n2)cc1
InChIInChI=1S/C21H23FN4O/c22-19-5-1-3-16(11-19)13-26-10-2-4-18(14-26)21-24-20(25-27-21)17-8-6-15(12-23)7-9-17/h1,3,5-9,11,18H,2,4,10,12-14,23H2
InChIKeyYCCDPUBJUNALGH-UHFFFAOYSA-N
XLogP3.71
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601
5-[1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 110235458
3-(3-fluorophenyl)-5-[(3S)-1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95275327
[4-(aminomethyl)phenyl]-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone;hydrochloride
CID 119313758
N-carbamoyl-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 51105643
2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetic acid;hydrochloride
CID 119921304
[4-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892545
N-(3-fluorophenyl)-3-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propanamide
CID 56526384
3-(4-fluorophenyl)-5-[(3R)-1-[(1R)-1-(3-fluorophenyl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 98787086
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-ol
CID 111112622
3-(4-fluorophenyl)-5-[1-(piperidin-4-ylmethyl)piperidin-3-yl]-1,2,4-oxadiazole
CID 119931231

Frequently Asked Questions

What is the IUPAC name of [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine (CID 120892557) is [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine is NCc1ccc(-c2noc(C3CCCN(Cc4cccc(F)c4)C3)n2)cc1.
What is the InChIKey of [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
The InChIKey is YCCDPUBJUNALGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-5-1-3-16(11-19)13-26-10-2-4-18(14-26)21-24-20(25-27-21)17-8-6-15(12-23)7-9-17/h1,3,5-9,11,18H,2,4,10,12-14,23H2.
What are the key properties of [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine?
[4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine has a molecular weight of 366.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 120892557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).