5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole

C13H9F2N3O — CID 154329849

IUPAC5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESFC1=CC=CC(F)(c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C13H9F2N3O/c14-10-4-1-5-13(15,7-10)12-17-11(18-19-12)9-3-2-6-16-8-9/h1-6,8H,7H2
InChIKeyNKZNACUEMKQMGV-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.11
Rot. Bonds2

About 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole

5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 154329849) has the molecular formula C13H9F2N3O and a molecular weight of 261.23 g/mol. Its IUPAC name is 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID154329849
Molecular FormulaC13H9F2N3O
Molecular Weight261.23 g/mol
Exact Mass261.07
IUPAC Name5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESFC1=CC=CC(F)(c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C13H9F2N3O/c14-10-4-1-5-13(15,7-10)12-17-11(18-19-12)9-3-2-6-16-8-9/h1-6,8H,7H2
InChIKeyNKZNACUEMKQMGV-UHFFFAOYSA-N
XLogP3.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
CID 53181959
2-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-4H-1,4-benzoxazin-3-one
CID 56731218
(2R)-2-methyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-4H-1,4-benzoxazin-3-one
CID 95739521
3-(4-methylphenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527948
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)hydrazine
CID 47003158
3-fluoro-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 67026212
5-[(1R,2S)-2-methylcyclopropyl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 100676956
1-cyclopropyl-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 64667279
trans-(1R,2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 96803162
5-(5-bromo-3-pyridinyl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 59758751

Frequently Asked Questions

What is the IUPAC name of 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 154329849) is 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is FC1=CC=CC(F)(c2nc(-c3cccnc3)no2)C1.
What is the InChIKey of 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is NKZNACUEMKQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O/c14-10-4-1-5-13(15,7-10)12-17-11(18-19-12)9-3-2-6-16-8-9/h1-6,8H,7H2.
What are the key properties of 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 261.23 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 154329849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).