2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol

C14H9Cl2N3O2 — CID 136888709

IUPAC2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O
InChIInChI=1S/C14H9Cl2N3O2/c15-8-4-7(5-9(16)6-8)13-18-14(21-19-13)10-2-1-3-11(17)12(10)20/h1-6,20H,17H2
InChIKeyUVDNHASQSREMLZ-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.00
Rot. Bonds2

About 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol

2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136888709) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136888709
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O
InChIInChI=1S/C14H9Cl2N3O2/c15-8-4-7(5-9(16)6-8)13-18-14(21-19-13)10-2-1-3-11(17)12(10)20/h1-6,20H,17H2
InChIKeyUVDNHASQSREMLZ-UHFFFAOYSA-N
XLogP4.00
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136888724
2-amino-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712652
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-amino-6-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712713
2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888710
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136888723
2-amino-6-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136712755
2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 103825966
2-bromo-6-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63113341
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136888709) is 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1cccc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)c1O.
What is the InChIKey of 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is UVDNHASQSREMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-8-4-7(5-9(16)6-8)13-18-14(21-19-13)10-2-1-3-11(17)12(10)20/h1-6,20H,17H2.
What are the key properties of 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 322.15 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136888709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).