4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine

C8H5Cl2N3O — CID 62501533

IUPAC4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H5Cl2N3O/c9-5-2-1-4(3-6(5)10)7-8(11)13-14-12-7/h1-3H,(H2,11,13)
InChIKeyPABLAQMULABYGS-UHFFFAOYSA-N
MW230.05 g/mol
LogP2.63
Rot. Bonds1

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

4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine (PubChem CID 62501533) has the molecular formula C8H5Cl2N3O and a molecular weight of 230.05 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
PubChem CID62501533
Molecular FormulaC8H5Cl2N3O
Molecular Weight230.05 g/mol
Exact Mass228.98
IUPAC Name4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H5Cl2N3O/c9-5-2-1-4(3-6(5)10)7-8(11)13-14-12-7/h1-3H,(H2,11,13)
InChIKeyPABLAQMULABYGS-UHFFFAOYSA-N
XLogP2.63
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.05
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-fluorophenyl)-1,2,5-oxadiazol-3-amine
CID 62501532
4-(4-butan-2-ylphenyl)-1,2,5-oxadiazol-3-amine
CID 82113932
4-(1-methylbenzimidazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 95991204
4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 23931680
6-(3,4-dichlorophenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823509
6-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 50972207
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
5-(3,4-dichlorophenyl)-6-methylpyrimidin-4-amine
CID 82298713
4-(3,4-dichlorophenyl)imidazole-1,5-diamine
CID 62482755
4-(5-chloro-1H-indol-6-yl)-1,2,5-oxadiazol-3-amine
CID 96596110
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
4-(4-hexylphenyl)-1,2,5-oxadiazol-3-amine
CID 82358087

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine (CID 62501533) is 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine?
The InChIKey is PABLAQMULABYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O/c9-5-2-1-4(3-6(5)10)7-8(11)13-14-12-7/h1-3H,(H2,11,13).
What are the key properties of 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine?
4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine has a molecular weight of 230.05 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 62501533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).