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

C15H13N3O — CID 895193

IUPAC5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(Cc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-11-2-4-12(5-3-11)10-14-17-15(18-19-14)13-6-8-16-9-7-13/h2-9H,10H2,1H3
InChIKeyMMXGKPKSTJGZOU-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.03
Rot. Bonds3

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

5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 895193) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID895193
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ccc(Cc2nc(-c3ccncc3)no2)cc1
InChIInChI=1S/C15H13N3O/c1-11-2-4-12(5-3-11)10-14-17-15(18-19-14)13-6-8-16-9-7-13/h2-9H,10H2,1H3
InChIKeyMMXGKPKSTJGZOU-UHFFFAOYSA-N
XLogP3.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895143
N,N-dimethyl-4-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]aniline
CID 50769325
5-[(4-methylphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035927
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 37134678
5-benzyl-3-phenyl-1,2,4-oxadiazole
CID 752274
5-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888655
3-(4-methoxyphenyl)-5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazole
CID 8895154
3-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole
CID 6459156
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
5-[(4-methoxyphenyl)methyl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53035897
3-(4-bromophenyl)-5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 926666

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 895193) is 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ccc(Cc2nc(-c3ccncc3)no2)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is MMXGKPKSTJGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-2-4-12(5-3-11)10-14-17-15(18-19-14)13-6-8-16-9-7-13/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 251.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 895193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).