2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol

C14H11N3O2 — CID 63850419

IUPAC2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1ccc(-c2nc(-c3ccncc3)no2)cc1O
InChIInChI=1S/C14H11N3O2/c1-9-2-3-11(8-12(9)18)14-16-13(17-19-14)10-4-6-15-7-5-10/h2-8,18H,1H3
InChIKeyNFLBNGVKIBURMD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.81
Rot. Bonds2

About 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol

2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 63850419) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID63850419
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1ccc(-c2nc(-c3ccncc3)no2)cc1O
InChIInChI=1S/C14H11N3O2/c1-9-2-3-11(8-12(9)18)14-16-13(17-19-14)10-4-6-15-7-5-10/h2-8,18H,1H3
InChIKeyNFLBNGVKIBURMD-UHFFFAOYSA-N
XLogP2.81
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63852485
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 175178675
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960
2-methyl-4-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751247
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol (CID 63850419) is 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol is Cc1ccc(-c2nc(-c3ccncc3)no2)cc1O.
What is the InChIKey of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is NFLBNGVKIBURMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-2-3-11(8-12(9)18)14-16-13(17-19-14)10-4-6-15-7-5-10/h2-8,18H,1H3.
What are the key properties of 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 253.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 63850419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).