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

C15H18FN3O — CID 56914593

IUPAC2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCCC2c2cccc(F)c2)o1
InChIInChI=1S/C15H18FN3O/c1-11-17-18-15(20-11)10-19-8-3-2-7-14(19)12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3
InChIKeyAFTOHBLNQKBIML-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.24
Rot. Bonds3

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

2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 56914593) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
PubChem CID56914593
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(CN2CCCCC2c2cccc(F)c2)o1
InChIInChI=1S/C15H18FN3O/c1-11-17-18-15(20-11)10-19-8-3-2-7-14(19)12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3
InChIKeyAFTOHBLNQKBIML-UHFFFAOYSA-N
XLogP3.24
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-2-(3-bromophenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94424083
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-thiadiazole
CID 56901808
2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 94447514
(2R)-2-(3-fluorophenyl)-1-(furan-2-ylmethyl)piperidine
CID 95885782
2-[[(2S)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124754983
1-(2-ethoxyethyl)-2-(3-fluorophenyl)piperidine
CID 56889121
(2S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(3-fluorophenyl)piperidine
CID 99935057
(2R)-1-[(2-ethylpyrimidin-4-yl)methyl]-2-(3-fluorophenyl)azepane
CID 99930686
5-[[(2R)-2-(3-fluorophenyl)piperidin-1-yl]methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 26332806
3-[[(2S)-2-(3-fluorophenyl)azepan-1-yl]methyl]pyridin-2-amine
CID 99928446
2-(1,5-dimethylpyrrol-2-yl)-5-[[(2R)-2-(4-fluorophenyl)piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 95730501
1-[(5-bromothiophen-2-yl)methyl]-2-(3-fluorophenyl)pyrrolidine
CID 20895866

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole (CID 56914593) is 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(CN2CCCCC2c2cccc(F)c2)o1.
What is the InChIKey of 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is AFTOHBLNQKBIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-17-18-15(20-11)10-19-8-3-2-7-14(19)12-5-4-6-13(16)9-12/h4-6,9,14H,2-3,7-8,10H2,1H3.
What are the key properties of 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole?
2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-fluorophenyl)piperidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 56914593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).