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

C14H16FN3O — CID 172908876

IUPAC5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(-c3ccc(F)cc3)n2)CCCCN1
InChIInChI=1S/C14H16FN3O/c1-14(8-2-3-9-16-14)13-17-12(19-18-13)10-4-6-11(15)7-5-10/h4-7,16H,2-3,8-9H2,1H3
InChIKeyRQLOUJDUHVDOSS-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.86
Rot. Bonds2

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

5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 172908876) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID172908876
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCC1(c2noc(-c3ccc(F)cc3)n2)CCCCN1
InChIInChI=1S/C14H16FN3O/c1-14(8-2-3-9-16-14)13-17-12(19-18-13)10-4-6-11(15)7-5-10/h4-7,16H,2-3,8-9H2,1H3
InChIKeyRQLOUJDUHVDOSS-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methylpiperidin-1-yl]-2-methoxyethanone
CID 164637820
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623
5-(4-fluorophenyl)-3-[4-(2-methoxyethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 146050584
3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154782809
3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 172908952
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107922430
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
3-(2-bromo-3,4-difluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107537223
6-fluoro-1-methyl-2-(2-methylpiperidin-2-yl)benzimidazole
CID 104595977
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104609706
1-[5-[4-(4-fluorophenyl)-1H-pyrrol-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 137096074
1-[5-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 166216352

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 172908876) is 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is CC1(c2noc(-c3ccc(F)cc3)n2)CCCCN1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is RQLOUJDUHVDOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-14(8-2-3-9-16-14)13-17-12(19-18-13)10-4-6-11(15)7-5-10/h4-7,16H,2-3,8-9H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 261.30 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 172908876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).