5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole

C14H16FN3O — CID 63015400

IUPAC5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-10(2-4-12)9-13-17-14(18-19-13)11-5-7-16-8-6-11/h1-4,11,16H,5-9H2
InChIKeyHTQQMCHFETXHSF-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.27
Rot. Bonds3

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

5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 63015400) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID63015400
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole
SMILESFc1ccc(Cc2nc(C3CCNCC3)no2)cc1
InChIInChI=1S/C14H16FN3O/c15-12-3-1-10(2-4-12)9-13-17-14(18-19-13)11-5-7-16-8-6-11/h1-4,11,16H,5-9H2
InChIKeyHTQQMCHFETXHSF-UHFFFAOYSA-N
XLogP2.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
5-(4-fluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 139035121
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
3-piperidin-3-yl-5-(pyridin-4-ylmethyl)-1,2,4-oxadiazole
CID 63027158
3-[(4-fluorophenyl)methyl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 62216870
5-(2,6-difluorophenyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 63014868
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
3-cyclopropyl-5-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-1,2,4-oxadiazole
CID 146512137
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
(3,4-difluorophenyl)-[3-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 68526656
5-(4-fluorophenyl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 84696560
3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 63317306

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole (CID 63015400) is 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole is Fc1ccc(Cc2nc(C3CCNCC3)no2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is HTQQMCHFETXHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-3-1-10(2-4-12)9-13-17-14(18-19-13)11-5-7-16-8-6-11/h1-4,11,16H,5-9H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole?
5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 63015400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).