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

C16H17Cl2N5O3 — CID 17332186

IUPAC4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
SMILESCl.Nc1nonc1C(=O)NCCNCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClN5O3.ClH/c17-11-3-1-2-10(8-11)13-5-4-12(24-13)9-19-6-7-20-16(23)14-15(18)22-25-21-14;/h1-5,8,19H,6-7,9H2,(H2,18,22)(H,20,23);1H
InChIKeyUQYTURGTQWOJDQ-UHFFFAOYSA-N
MW398.25 g/mol
LogP2.51
Rot. Bonds7

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

4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride (PubChem CID 17332186) has the molecular formula C16H17Cl2N5O3 and a molecular weight of 398.25 g/mol. Its IUPAC name is 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
PubChem CID17332186
Molecular FormulaC16H17Cl2N5O3
Molecular Weight398.25 g/mol
Exact Mass397.07
IUPAC Name4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
SMILESCl.Nc1nonc1C(=O)NCCNCc1ccc(-c2cccc(Cl)c2)o1
InChIInChI=1S/C16H16ClN5O3.ClH/c17-11-3-1-2-10(8-11)13-5-4-12(24-13)9-19-6-7-20-16(23)14-15(18)22-25-21-14;/h1-5,8,19H,6-7,9H2,(H2,18,22)(H,20,23);1H
InChIKeyUQYTURGTQWOJDQ-UHFFFAOYSA-N
XLogP2.51
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 52.51
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-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride (CID 17332186) is 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride is Cl.Nc1nonc1C(=O)NCCNCc1ccc(-c2cccc(Cl)c2)o1.
What is the InChIKey of 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
The InChIKey is UQYTURGTQWOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3.ClH/c17-11-3-1-2-10(8-11)13-5-4-12(24-13)9-19-6-7-20-16(23)14-15(18)22-25-21-14;/h1-5,8,19H,6-7,9H2,(H2,18,22)(H,20,23);1H.
What are the key properties of 4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride?
4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride has a molecular weight of 398.25 g/mol, XLogP of 2.51, 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-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 17332186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).