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

C16H14N2O2 — CID 63850250

IUPAC2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccc(-c2noc(-c3ccc(C)c(O)c3)n2)c1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-12(8-10)15-17-16(20-18-15)13-7-6-11(2)14(19)9-13/h3-9,19H,1-2H3
InChIKeyVSEXYIVJAQRHKN-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.73
Rot. Bonds2

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

2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63850250) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63850250
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cccc(-c2noc(-c3ccc(C)c(O)c3)n2)c1
InChIInChI=1S/C16H14N2O2/c1-10-4-3-5-12(8-10)15-17-16(20-18-15)13-7-6-11(2)14(19)9-13/h3-9,19H,1-2H3
InChIKeyVSEXYIVJAQRHKN-UHFFFAOYSA-N
XLogP3.73
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 63851081
3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283
2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
2-methyl-5-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 175178675
2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63852485
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 134593682
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 63850250) is 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cccc(-c2noc(-c3ccc(C)c(O)c3)n2)c1.
What is the InChIKey of 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is VSEXYIVJAQRHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-4-3-5-12(8-10)15-17-16(20-18-15)13-7-6-11(2)14(19)9-13/h3-9,19H,1-2H3.
What are the key properties of 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 266.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63850250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).