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

C15H12N2O2 — CID 798302

IUPAC4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1-c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3
InChIKeyZMXAKACKYKVMGO-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.42
Rot. Bonds2

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

4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 798302) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID798302
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccccc1-c1noc(-c2ccc(O)cc2)n1
InChIInChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3
InChIKeyZMXAKACKYKVMGO-UHFFFAOYSA-N
XLogP3.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
5-(2-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867102
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256566
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001
N,N-dimethyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 3800118
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 798302) is 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccccc1-c1noc(-c2ccc(O)cc2)n1.
What is the InChIKey of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ZMXAKACKYKVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-4-2-3-5-13(10)14-16-15(19-17-14)11-6-8-12(18)9-7-11/h2-9,18H,1H3.
What are the key properties of 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 252.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 798302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).