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

C15H17F2N3O — CID 53015168

IUPAC3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3ccc(F)cc3F)C2)no1
InChIInChI=1S/C15H17F2N3O/c1-10-18-15(19-21-10)12-3-2-6-20(9-12)8-11-4-5-13(16)7-14(11)17/h4-5,7,12H,2-3,6,8-9H2,1H3
InChIKeyFAFINMQTAJQNAL-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.04
Rot. Bonds3

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

3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 53015168) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID53015168
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(C2CCCN(Cc3ccc(F)cc3F)C2)no1
InChIInChI=1S/C15H17F2N3O/c1-10-18-15(19-21-10)12-3-2-6-20(9-12)8-11-4-5-13(16)7-14(11)17/h4-5,7,12H,2-3,6,8-9H2,1H3
InChIKeyFAFINMQTAJQNAL-UHFFFAOYSA-N
XLogP3.04
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3S)-1-[[2-(3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole
CID 99929696
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
5-methyl-3-[1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 91828517
2-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 63762828
ethyl (3S)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763740
ethyl (3R)-1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylate
CID 763743
[(1R,2S)-2-(2,5-difluorophenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776393
1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45216943
1-[(2,4-difluorophenyl)methyl]-3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45234631
1-[(2,4-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45223704
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole (CID 53015168) is 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc(C2CCCN(Cc3ccc(F)cc3F)C2)no1.
What is the InChIKey of 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is FAFINMQTAJQNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-10-18-15(19-21-10)12-3-2-6-20(9-12)8-11-4-5-13(16)7-14(11)17/h4-5,7,12H,2-3,6,8-9H2,1H3.
What are the key properties of 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 293.32 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2,4-difluorophenyl)methyl]piperidin-3-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 53015168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).