3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

C18H10ClF2N5O — CID 167518349

IUPAC3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(F)cn3)n2)cc(-c2ccc(Cl)nc2)c1F
InChIInChI=1S/C18H10ClF2N5O/c1-9-16(21)12(10-2-5-15(19)23-7-10)6-14(24-9)17-25-18(27-26-17)13-4-3-11(20)8-22-13/h2-8H,1H3
InChIKeyZYYNJZLGMMABGZ-UHFFFAOYSA-N
MW385.76 g/mol
LogP4.50
Rot. Bonds3

About 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole

3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 167518349) has the molecular formula C18H10ClF2N5O and a molecular weight of 385.76 g/mol. Its IUPAC name is 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID167518349
Molecular FormulaC18H10ClF2N5O
Molecular Weight385.76 g/mol
Exact Mass385.05
IUPAC Name3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
SMILESCc1nc(-c2noc(-c3ccc(F)cn3)n2)cc(-c2ccc(Cl)nc2)c1F
InChIInChI=1S/C18H10ClF2N5O/c1-9-16(21)12(10-2-5-15(19)23-7-10)6-14(24-9)17-25-18(27-26-17)13-4-3-11(20)8-22-13/h2-8H,1H3
InChIKeyZYYNJZLGMMABGZ-UHFFFAOYSA-N
XLogP4.50
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-(3,5-dimethylphenyl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 11242644
5-[1-[(6-chloro-3-pyridinyl)methyl]-5-methylpyrazol-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole;fluoromethane;molecular fluorine
CID 143992792
2-fluoro-5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 79719610
5-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79735633
5-(6-chloro-3-pyridinyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 30028861
5-(6-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057988
2-[5-fluoro-4-(2-methoxy-4-pyridinyl)-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
CID 167518459
3-[6-(difluoromethyl)-4-(5-fluoro-3-pyridinyl)-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 167518460
5-(6-chloro-3-pyridinyl)-3-phenyl-1,2,4-oxadiazole
CID 20594130
2-[4-(1-ethylpyrazol-4-yl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazole
CID 167518278
4-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 104704173
5-(6-chloro-3-pyridinyl)-3-(2,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97057991

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole (CID 167518349) is 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is Cc1nc(-c2noc(-c3ccc(F)cn3)n2)cc(-c2ccc(Cl)nc2)c1F.
What is the InChIKey of 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is ZYYNJZLGMMABGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF2N5O/c1-9-16(21)12(10-2-5-15(19)23-7-10)6-14(24-9)17-25-18(27-26-17)13-4-3-11(20)8-22-13/h2-8H,1H3.
What are the key properties of 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole?
3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 385.76 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloro-3-pyridinyl)-5-fluoro-6-methyl-2-pyridinyl]-5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167518349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).