5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine

C8H7ClN4O — CID 65416842

IUPAC5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C8H7ClN4O/c9-5-3-4(1-2-6(5)10)7-12-8(11)13-14-7/h1-3H,10H2,(H2,11,13)
InChIKeyJXPLMKPLOZKXOE-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.55
Rot. Bonds1

About 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine

5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine (PubChem CID 65416842) has the molecular formula C8H7ClN4O and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
PubChem CID65416842
Molecular FormulaC8H7ClN4O
Molecular Weight210.62 g/mol
Exact Mass210.03
IUPAC Name5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine
SMILESNc1noc(-c2ccc(N)c(Cl)c2)n1
InChIInChI=1S/C8H7ClN4O/c9-5-3-4(1-2-6(5)10)7-12-8(11)13-14-7/h1-3H,10H2,(H2,11,13)
InChIKeyJXPLMKPLOZKXOE-UHFFFAOYSA-N
XLogP1.55
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 82789550
4-[3-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-chloroaniline
CID 107280106
2-chloro-4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65094389
5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848383
4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 81494253
5-(3-aminophenyl)-1,2,4-oxadiazol-3-amine
CID 65417275
2-chloro-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80620097
2-chloro-4-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116703123
2-chloro-4-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 79959995
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
5-[2-(aminomethyl)-4-pyridinyl]-1,2,4-oxadiazol-3-amine
CID 114324963
3-(3-amino-1,2,4-oxadiazol-5-yl)phenol
CID 115079196

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine (CID 65416842) is 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine is Nc1noc(-c2ccc(N)c(Cl)c2)n1.
What is the InChIKey of 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine?
The InChIKey is JXPLMKPLOZKXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN4O/c9-5-3-4(1-2-6(5)10)7-12-8(11)13-14-7/h1-3H,10H2,(H2,11,13).
What are the key properties of 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine?
5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine has a molecular weight of 210.62 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-chlorophenyl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 65416842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).