5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C15H10Cl2N2O2 — CID 107918283

IUPAC5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1O
InChIInChI=1S/C15H10Cl2N2O2/c1-8-2-3-9(6-13(8)20)15-18-14(19-21-15)10-4-11(16)7-12(17)5-10/h2-7,20H,1H3
InChIKeyLVCNAPOPXUWTPM-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.72
Rot. Bonds2

About 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 107918283) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID107918283
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1O
InChIInChI=1S/C15H10Cl2N2O2/c1-8-2-3-9(6-13(8)20)15-18-14(19-21-15)10-4-11(16)7-12(17)5-10/h2-7,20H,1H3
InChIKeyLVCNAPOPXUWTPM-UHFFFAOYSA-N
XLogP4.72
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.72
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
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63850419
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
2-methyl-5-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106850093
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
2-methyl-5-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 63852485
5-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 931247
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136888724
5-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107282960
5-(2-chloro-4-pyridinyl)-3-(3,5-dichlorophenyl)-1,2,4-oxadiazole
CID 97058010

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 107918283) is 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is Cc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)cc1O.
What is the InChIKey of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is LVCNAPOPXUWTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c1-8-2-3-9(6-13(8)20)15-18-14(19-21-15)10-4-11(16)7-12(17)5-10/h2-7,20H,1H3.
What are the key properties of 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 321.16 g/mol, XLogP of 4.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 107918283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).