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

C14H8Cl2N2O3 — CID 136888724

IUPAC3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
SMILESOc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O
InChIInChI=1S/C14H8Cl2N2O3/c15-8-4-7(5-9(16)6-8)13-17-14(21-18-13)10-2-1-3-11(19)12(10)20/h1-6,19-20H
InChIKeyPOGLHVMWMFJPLV-UHFFFAOYSA-N
MW323.14 g/mol
LogP4.12
Rot. Bonds2

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

3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol (PubChem CID 136888724) has the molecular formula C14H8Cl2N2O3 and a molecular weight of 323.14 g/mol. Its IUPAC name is 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol.

Molecular Properties

Compound Name3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
PubChem CID136888724
Molecular FormulaC14H8Cl2N2O3
Molecular Weight323.14 g/mol
Exact Mass321.99
IUPAC Name3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
SMILESOc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O
InChIInChI=1S/C14H8Cl2N2O3/c15-8-4-7(5-9(16)6-8)13-17-14(21-18-13)10-2-1-3-11(19)12(10)20/h1-6,19-20H
InChIKeyPOGLHVMWMFJPLV-UHFFFAOYSA-N
XLogP4.12
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.14
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928478
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136888723
2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
4-chloro-3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 106503322
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43329885
2-amino-6-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136810050
2-[3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-6-[2-(trifluoromethyl)phenyl]phenol
CID 157144914

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
The IUPAC name of 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol (CID 136888724) is 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol.
What is the SMILES notation for 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
The canonical SMILES for 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol is Oc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O.
What is the InChIKey of 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
The InChIKey is POGLHVMWMFJPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O3/c15-8-4-7(5-9(16)6-8)13-17-14(21-18-13)10-2-1-3-11(19)12(10)20/h1-6,19-20H.
What are the key properties of 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol?
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol has a molecular weight of 323.14 g/mol, XLogP of 4.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol is sourced from PubChem (CID 136888724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).