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

C14H9Cl2N3O2 — CID 136888710

IUPAC2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)ccc1O
InChIInChI=1S/C14H9Cl2N3O2/c15-9-3-8(4-10(16)6-9)13-18-14(21-19-13)7-1-2-12(20)11(17)5-7/h1-6,20H,17H2
InChIKeyZBRAQWUJZAVBJP-UHFFFAOYSA-N
MW322.15 g/mol
LogP4.00
Rot. Bonds2

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

2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136888710) has the molecular formula C14H9Cl2N3O2 and a molecular weight of 322.15 g/mol. Its IUPAC name is 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136888710
Molecular FormulaC14H9Cl2N3O2
Molecular Weight322.15 g/mol
Exact Mass321.01
IUPAC Name2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESNc1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)ccc1O
InChIInChI=1S/C14H9Cl2N3O2/c15-9-3-8(4-10(16)6-9)13-18-14(21-19-13)7-1-2-12(20)11(17)5-7/h1-6,20H,17H2
InChIKeyZBRAQWUJZAVBJP-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

2-chloro-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888720
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 107918283
2-amino-4-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888758
2-amino-4-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136872227
4-[5-(3,5-dichlorophenyl)-1,2,4-oxadiazol-3-yl]aniline
CID 43525094
2-amino-6-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136888709
2-amino-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872210
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-fluoroaniline
CID 60836564
2-amino-4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872205
3-[5-(3-amino-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921176
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136888724

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136888710) is 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is Nc1cc(-c2nc(-c3cc(Cl)cc(Cl)c3)no2)ccc1O.
What is the InChIKey of 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ZBRAQWUJZAVBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O2/c15-9-3-8(4-10(16)6-9)13-18-14(21-19-13)7-1-2-12(20)11(17)5-7/h1-6,20H,17H2.
What are the key properties of 2-amino-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol?
2-amino-4-[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-4-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136888710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).