3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole

C14H15F2N3O — CID 114424842

IUPAC3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(-c3ccc(F)c(F)c3)no2)C1
InChIInChI=1S/C14H15F2N3O/c1-8-4-5-17-12(6-8)14-18-13(19-20-14)9-2-3-10(15)11(16)7-9/h2-3,7-8,12,17H,4-6H2,1H3
InChIKeyGQRCLGYOOQNUPS-UHFFFAOYSA-N
MW279.29 g/mol
LogP3.08
Rot. Bonds2

About 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114424842) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114424842
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC(c2nc(-c3ccc(F)c(F)c3)no2)C1
InChIInChI=1S/C14H15F2N3O/c1-8-4-5-17-12(6-8)14-18-13(19-20-14)9-2-3-10(15)11(16)7-9/h2-3,7-8,12,17H,4-6H2,1H3
InChIKeyGQRCLGYOOQNUPS-UHFFFAOYSA-N
XLogP3.08
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
3-(3-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424834
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 115753243
5-(4-methylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114424841
3-(3,4-difluorophenyl)-5-[4-(trifluoromethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 167819498
3-(3-fluoro-4-methylphenyl)-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120837142
3-(3-chloro-4-fluorophenyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743414
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
3-(4-fluoro-3-methylphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93350964
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
2-fluoro-4-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]phenol
CID 136810089
5-(4-methylpiperidin-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 114424820

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114424842) is 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1CCNC(c2nc(-c3ccc(F)c(F)c3)no2)C1.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is GQRCLGYOOQNUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c1-8-4-5-17-12(6-8)14-18-13(19-20-14)9-2-3-10(15)11(16)7-9/h2-3,7-8,12,17H,4-6H2,1H3.
What are the key properties of 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 279.29 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114424842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).