3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole

C12H13F2N3O — CID 167887186

IUPAC3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCC(C)C(c1cccnc1)c1nc(C(F)F)no1
InChIInChI=1S/C12H13F2N3O/c1-7(2)9(8-4-3-5-15-6-8)12-16-11(10(13)14)17-18-12/h3-7,9-10H,1-2H3
InChIKeyCFAFUKWRIVULPF-UHFFFAOYSA-N
MW253.25 g/mol
LogP3.19
Rot. Bonds4

About 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole

3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole (PubChem CID 167887186) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole
PubChem CID167887186
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole
SMILESCC(C)C(c1cccnc1)c1nc(C(F)F)no1
InChIInChI=1S/C12H13F2N3O/c1-7(2)9(8-4-3-5-15-6-8)12-16-11(10(13)14)17-18-12/h3-7,9-10H,1-2H3
InChIKeyCFAFUKWRIVULPF-UHFFFAOYSA-N
XLogP3.19
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-pyridin-3-ylmethanamine
CID 154770051
3-(difluoromethyl)-5-propan-2-yl-1,2,4-oxadiazole;ethane
CID 177328062
5-[fluoro(phenyl)methyl]-3-(1-pyrazin-2-ylethyl)-1,2,4-oxadiazole
CID 167791573
2-[amino(pyridin-3-yl)methyl]-3-methylbutan-1-ol
CID 116945678
3-(3,3-dimethylbutan-2-yl)pyridine
CID 59751404
3-[(Z)-hept-4-en-2-yl]pyridine
CID 83929814
3-(1,2,2-trifluoroethyl)pyridine
CID 175405303
3-[1-(oxiran-2-yl)ethyl]pyridine
CID 22465341
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
3-pyridin-3-ylbutanal
CID 12727117
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole (CID 167887186) is 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole is CC(C)C(c1cccnc1)c1nc(C(F)F)no1.
What is the InChIKey of 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is CFAFUKWRIVULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-7(2)9(8-4-3-5-15-6-8)12-16-11(10(13)14)17-18-12/h3-7,9-10H,1-2H3.
What are the key properties of 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole?
3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 253.25 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(2-methyl-1-pyridin-3-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167887186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).