3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C14H16FN3O2 — CID 104880852

IUPAC3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3(C)CCCN3)n2)ccc1F
InChIInChI=1S/C14H16FN3O2/c1-14(6-3-7-16-14)13-17-12(18-20-13)9-4-5-10(15)11(8-9)19-2/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyMSQPJPFWFKWURT-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.48
Rot. Bonds3

About 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 104880852) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID104880852
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCOc1cc(-c2noc(C3(C)CCCN3)n2)ccc1F
InChIInChI=1S/C14H16FN3O2/c1-14(6-3-7-16-14)13-17-12(18-20-13)9-4-5-10(15)11(8-9)19-2/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyMSQPJPFWFKWURT-UHFFFAOYSA-N
XLogP2.48
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107922430
3-(3,4-dichlorophenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 81491739
3-(3-bromo-5-fluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 104597623
3-(2-bromo-3,4-difluorophenyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107537223
3-(4-fluoro-3-methoxyphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 82626483
N,N-dimethyl-1-[4-[5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine;hydrochloride
CID 120842058
[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 107922458
3-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 107923162
5-(2-methylpiperidin-2-yl)-3-[3-(piperidin-1-ylmethyl)phenyl]-1,2,4-oxadiazole
CID 120839329
3-(3-bromo-4-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106950718
3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154782809
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107923168

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 104880852) is 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is COc1cc(-c2noc(C3(C)CCCN3)n2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is MSQPJPFWFKWURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-14(6-3-7-16-14)13-17-12(18-20-13)9-4-5-10(15)11(8-9)19-2/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 277.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 104880852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).