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

C17H16N2O2 — CID 136751064

IUPAC2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(Cc2noc(-c3ccc(O)c(C)c3)n2)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-13(6-4-11)10-16-18-17(21-19-16)14-7-8-15(20)12(2)9-14/h3-9,20H,10H2,1-2H3
InChIKeyBNXJPWTUWXHHJO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.65
Rot. Bonds3

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

2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751064) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751064
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(Cc2noc(-c3ccc(O)c(C)c3)n2)cc1
InChIInChI=1S/C17H16N2O2/c1-11-3-5-13(6-4-11)10-16-18-17(21-19-16)14-7-8-15(20)12(2)9-14/h3-9,20H,10H2,1-2H3
InChIKeyBNXJPWTUWXHHJO-UHFFFAOYSA-N
XLogP3.65
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751099
2-methyl-5-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63844920
3-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846805
2-methyl-5-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63845758
2-methyl-6-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 62329723
2-methyl-5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63846099
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzene-1,2-diol
CID 136904389
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 136751064) is 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(Cc2noc(-c3ccc(O)c(C)c3)n2)cc1.
What is the InChIKey of 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BNXJPWTUWXHHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-3-5-13(6-4-11)10-16-18-17(21-19-16)14-7-8-15(20)12(2)9-14/h3-9,20H,10H2,1-2H3.
What are the key properties of 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 280.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).