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

C20H16FN5O2 — CID 167518298

IUPAC3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccnc(-c2nc(-c3cc(-c4cnccc4C)c(F)c(C)n3)no2)c1
InChIInChI=1S/C20H16FN5O2/c1-11-4-6-22-10-15(11)14-9-16(24-12(2)18(14)21)19-25-20(28-26-19)17-8-13(27-3)5-7-23-17/h4-10H,1-3H3
InChIKeyNWVPDODCYTYBDW-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.02
Rot. Bonds4

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

3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole (PubChem CID 167518298) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole
PubChem CID167518298
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1ccnc(-c2nc(-c3cc(-c4cnccc4C)c(F)c(C)n3)no2)c1
InChIInChI=1S/C20H16FN5O2/c1-11-4-6-22-10-15(11)14-9-16(24-12(2)18(14)21)19-25-20(28-26-19)17-8-13(27-3)5-7-23-17/h4-10H,1-3H3
InChIKeyNWVPDODCYTYBDW-UHFFFAOYSA-N
XLogP4.02
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole (CID 167518298) is 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole is COc1ccnc(-c2nc(-c3cc(-c4cnccc4C)c(F)c(C)n3)no2)c1.
What is the InChIKey of 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is NWVPDODCYTYBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-11-4-6-22-10-15(11)14-9-16(24-12(2)18(14)21)19-25-20(28-26-19)17-8-13(27-3)5-7-23-17/h4-10H,1-3H3.
What are the key properties of 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole?
3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 377.38 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-6-methyl-4-(4-methyl-3-pyridinyl)-2-pyridinyl]-5-(4-methoxy-2-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167518298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).