1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

C11H11Cl2N3O — CID 62859434

IUPAC1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C11H11Cl2N3O/c1-2-8(14)11-16-15-10(17-11)6-4-3-5-7(12)9(6)13/h3-5,8H,2,14H2,1H3
InChIKeyHGWHDRQYRGTWHT-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.45
Rot. Bonds3

About 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine

1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (PubChem CID 62859434) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
PubChem CID62859434
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
SMILESCCC(N)c1nnc(-c2cccc(Cl)c2Cl)o1
InChIInChI=1S/C11H11Cl2N3O/c1-2-8(14)11-16-15-10(17-11)6-4-3-5-7(12)9(6)13/h3-5,8H,2,14H2,1H3
InChIKeyHGWHDRQYRGTWHT-UHFFFAOYSA-N
XLogP3.45
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The IUPAC name of 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine (CID 62859434) is 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine.
What is the SMILES notation for 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The canonical SMILES for 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is CCC(N)c1nnc(-c2cccc(Cl)c2Cl)o1.
What is the InChIKey of 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
The InChIKey is HGWHDRQYRGTWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-2-8(14)11-16-15-10(17-11)6-4-3-5-7(12)9(6)13/h3-5,8H,2,14H2,1H3.
What are the key properties of 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine?
1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine has a molecular weight of 272.13 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,3-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-amine is sourced from PubChem (CID 62859434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).