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

C15H12N2O2 — CID 63851081

IUPAC2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1ccc(-c2nc(-c3ccccc3)no2)cc1O
InChIInChI=1S/C15H12N2O2/c1-10-7-8-12(9-13(10)18)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeyANIBDOKGCPCIAV-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.42
Rot. Bonds2

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

2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 63851081) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID63851081
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1ccc(-c2nc(-c3ccccc3)no2)cc1O
InChIInChI=1S/C15H12N2O2/c1-10-7-8-12(9-13(10)18)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeyANIBDOKGCPCIAV-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

2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
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-(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
2-methyl-5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63847009
2-bromo-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 104938026
2-methyl-5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63844897
2-methyl-5-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 63846134
5-(3,4-dichlorophenyl)-3-phenyl-1,2,4-oxadiazole
CID 704271
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol (CID 63851081) is 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol is Cc1ccc(-c2nc(-c3ccccc3)no2)cc1O.
What is the InChIKey of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is ANIBDOKGCPCIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-7-8-12(9-13(10)18)15-16-14(17-19-15)11-5-3-2-4-6-11/h2-9,18H,1H3.
What are the key properties of 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol?
2-methyl-5-(3-phenyl-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 2-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 63851081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).