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

C15H10Cl2N2O2 — CID 63852117

IUPAC3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-11-5-4-9(13(17)8-11)7-14-18-15(21-19-14)10-2-1-3-12(20)6-10/h1-6,8,20H,7H2
InChIKeyGSJUFZZYPHDGNR-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.34
Rot. Bonds3

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

3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 63852117) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
PubChem CID63852117
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1
InChIInChI=1S/C15H10Cl2N2O2/c16-11-5-4-9(13(17)8-11)7-14-18-15(21-19-14)10-2-1-3-12(20)6-10/h1-6,8,20H,7H2
InChIKeyGSJUFZZYPHDGNR-UHFFFAOYSA-N
XLogP4.34
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol (CID 63852117) is 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is Oc1cccc(-c2nc(Cc3ccc(Cl)cc3Cl)no2)c1.
What is the InChIKey of 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is GSJUFZZYPHDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-11-5-4-9(13(17)8-11)7-14-18-15(21-19-14)10-2-1-3-12(20)6-10/h1-6,8,20H,7H2.
What are the key properties of 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol?
3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 321.16 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 63852117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).