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

C14H16FN3O — CID 60916537

IUPAC5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1Cc1nc(C2CCCCN2)no1
InChIInChI=1S/C14H16FN3O/c15-11-6-2-1-5-10(11)9-13-17-14(18-19-13)12-7-3-4-8-16-12/h1-2,5-6,12,16H,3-4,7-9H2
InChIKeyFPUKFORVOFNQRC-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.61
Rot. Bonds3

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

5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 60916537) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID60916537
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESFc1ccccc1Cc1nc(C2CCCCN2)no1
InChIInChI=1S/C14H16FN3O/c15-11-6-2-1-5-10(11)9-13-17-14(18-19-13)12-7-3-4-8-16-12/h1-2,5-6,12,16H,3-4,7-9H2
InChIKeyFPUKFORVOFNQRC-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-(2,6-difluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916016
3-(azepan-2-yl)-5-(2,6-difluorophenyl)-1,2,4-oxadiazole
CID 104541119
5-(1-benzofuran-3-ylmethyl)-3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 166316805
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
5-(2-phenoxyethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916955
3-[(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,2-benzoxazole
CID 104637719
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905
3-(azepan-2-yl)-5-(2-bromo-6-fluorophenyl)-1,2,4-oxadiazole
CID 114560805
3-pyrrolidin-2-yl-5-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 63317306
5-(2-chloro-3-fluorophenyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 81461458

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole (CID 60916537) is 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole is Fc1ccccc1Cc1nc(C2CCCCN2)no1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is FPUKFORVOFNQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-11-6-2-1-5-10(11)9-13-17-14(18-19-13)12-7-3-4-8-16-12/h1-2,5-6,12,16H,3-4,7-9H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole?
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 60916537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).