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

C14H11N3O — CID 2237693

IUPAC3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccncc3)n2)c1
InChIInChI=1S/C14H11N3O/c1-10-3-2-4-12(9-10)13-16-14(18-17-13)11-5-7-15-8-6-11/h2-9H,1H3
InChIKeyZCADYFNQMKFANR-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.11
Rot. Bonds2

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

3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 2237693) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID2237693
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(-c3ccncc3)n2)c1
InChIInChI=1S/C14H11N3O/c1-10-3-2-4-12(9-10)13-16-14(18-17-13)11-5-7-15-8-6-11/h2-9H,1H3
InChIKeyZCADYFNQMKFANR-UHFFFAOYSA-N
XLogP3.11
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 134593682
3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 119103240
2-(3-methylphenyl)-5-pyridin-4-yl-1,3,4-oxadiazole
CID 872987
5-(3-methylphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035902
3-[3-[5-[3,5-bis[3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]phenyl]-1,2,4-oxadiazol-3-yl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 67475214
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136908045

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole (CID 2237693) is 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole is Cc1cccc(-c2noc(-c3ccncc3)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is ZCADYFNQMKFANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-10-3-2-4-12(9-10)13-16-14(18-17-13)11-5-7-15-8-6-11/h2-9H,1H3.
What are the key properties of 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 237.26 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 3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2237693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).