4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride

C16H16Cl3N5O3 — CID 17332032

IUPAC4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
SMILESCl.Nc1nonc1C(=O)NCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H15Cl2N5O3.ClH/c17-9-1-3-12(18)11(7-9)13-4-2-10(25-13)8-20-5-6-21-16(24)14-15(19)23-26-22-14;/h1-4,7,20H,5-6,8H2,(H2,19,23)(H,21,24);1H
InChIKeyHYBYKIYJWXIMOF-UHFFFAOYSA-N
MW432.70 g/mol
LogP3.16
Rot. Bonds7

About 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride

4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride (PubChem CID 17332032) has the molecular formula C16H16Cl3N5O3 and a molecular weight of 432.70 g/mol. Its IUPAC name is 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
PubChem CID17332032
Molecular FormulaC16H16Cl3N5O3
Molecular Weight432.70 g/mol
Exact Mass431.03
IUPAC Name4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
SMILESCl.Nc1nonc1C(=O)NCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C16H15Cl2N5O3.ClH/c17-9-1-3-12(18)11(7-9)13-4-2-10(25-13)8-20-5-6-21-16(24)14-15(19)23-26-22-14;/h1-4,7,20H,5-6,8H2,(H2,19,23)(H,21,24);1H
InChIKeyHYBYKIYJWXIMOF-UHFFFAOYSA-N
XLogP3.16
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.70
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride (CID 17332032) is 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride is Cl.Nc1nonc1C(=O)NCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The InChIKey is HYBYKIYJWXIMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O3.ClH/c17-9-1-3-12(18)11(7-9)13-4-2-10(25-13)8-20-5-6-21-16(24)14-15(19)23-26-22-14;/h1-4,7,20H,5-6,8H2,(H2,19,23)(H,21,24);1H.
What are the key properties of 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride has a molecular weight of 432.70 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 17332032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).