2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

C15H13N3O2 — CID 136751247

IUPAC2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(-c3ccncc3C)no2)ccc1O
InChIInChI=1S/C15H13N3O2/c1-9-7-11(3-4-13(9)19)15-17-14(18-20-15)12-5-6-16-8-10(12)2/h3-8,19H,1-2H3
InChIKeyPLCQEVYVWCNWAU-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.12
Rot. Bonds2

About 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol

2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751247) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751247
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(-c3ccncc3C)no2)ccc1O
InChIInChI=1S/C15H13N3O2/c1-9-7-11(3-4-13(9)19)15-17-14(18-20-15)12-5-6-16-8-10(12)2/h3-8,19H,1-2H3
InChIKeyPLCQEVYVWCNWAU-UHFFFAOYSA-N
XLogP3.12
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 104698932
5-(3,4-dimethylphenyl)-3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazole;5-(3,4-dimethylphenyl)-3-(5-methyl-3-pyridinyl)-1,2,4-oxadiazole;bis(5-(3,4-dimethylphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole)
CID 159673647
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432
5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707047
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
N,2-dimethyl-5-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 144545362
5-[5-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyphenol
CID 143701854
4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136770953
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
2-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904315
2-methyl-4-(4-methyl-3-pyridinyl)phenol
CID 83130962
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751247) is 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(-c2nc(-c3ccncc3C)no2)ccc1O.
What is the InChIKey of 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is PLCQEVYVWCNWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-9-7-11(3-4-13(9)19)15-17-14(18-20-15)12-5-6-16-8-10(12)2/h3-8,19H,1-2H3.
What are the key properties of 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 267.29 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).