3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole

C19H14F2N4O — CID 175923242

IUPAC3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3=CN(Cc4cccnc4)CC=C3)n2)cc1F
InChIInChI=1S/C19H14F2N4O/c20-16-6-5-14(9-17(16)21)18-23-19(26-24-18)15-4-2-8-25(12-15)11-13-3-1-7-22-10-13/h1-7,9-10,12H,8,11H2
InChIKeyUXCLMUHMXIABND-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.82
Rot. Bonds4

About 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole

3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole (PubChem CID 175923242) has the molecular formula C19H14F2N4O and a molecular weight of 352.34 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole
PubChem CID175923242
Molecular FormulaC19H14F2N4O
Molecular Weight352.34 g/mol
Exact Mass352.11
IUPAC Name3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(C3=CN(Cc4cccnc4)CC=C3)n2)cc1F
InChIInChI=1S/C19H14F2N4O/c20-16-6-5-14(9-17(16)21)18-23-19(26-24-18)15-4-2-8-25(12-15)11-13-3-1-7-22-10-13/h1-7,9-10,12H,8,11H2
InChIKeyUXCLMUHMXIABND-UHFFFAOYSA-N
XLogP3.82
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 166850879
methyl 1-(pyridin-3-ylmethyl)-2H-pyridine-5-carboxylate
CID 141118704
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259948
5-benzyl-2-(3,4-difluorophenyl)-4H-[1,3]oxazolo[4,5-c]pyridine
CID 122461130
4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904405
2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81497947
5-(3,4-difluorophenyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
CID 99033707
5-[1-(3,4-difluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-3-(4-pyridin-3-yloxyphenyl)-1,2,4-oxadiazole
CID 166378784
3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 64888824
3-(4-methylphenyl)-5-[(3S)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 95830116
N-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 165117378
3-[4-(2H-azet-1-ylmethyl)-3-bromophenyl]-5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazole
CID 141345286

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole (CID 175923242) is 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole is Fc1ccc(-c2noc(C3=CN(Cc4cccnc4)CC=C3)n2)cc1F.
What is the InChIKey of 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole?
The InChIKey is UXCLMUHMXIABND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O/c20-16-6-5-14(9-17(16)21)18-23-19(26-24-18)15-4-2-8-25(12-15)11-13-3-1-7-22-10-13/h1-7,9-10,12H,8,11H2.
What are the key properties of 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole?
3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole has a molecular weight of 352.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-5-[1-(pyridin-3-ylmethyl)-2H-pyridin-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 175923242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).