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

C16H15Cl2N5O3 — CID 4724324

IUPAC4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H15Cl2N5O3/c17-9-1-3-11(12(18)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)
InChIKeyCILOKCNWEDIIHX-UHFFFAOYSA-N
MW396.23 g/mol
LogP2.74
Rot. Bonds7

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

4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 4724324) has the molecular formula C16H15Cl2N5O3 and a molecular weight of 396.23 g/mol. Its IUPAC name is 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID4724324
Molecular FormulaC16H15Cl2N5O3
Molecular Weight396.23 g/mol
Exact Mass395.06
IUPAC Name4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C16H15Cl2N5O3/c17-9-1-3-11(12(18)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)
InChIKeyCILOKCNWEDIIHX-UHFFFAOYSA-N
XLogP2.74
TPSA119.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.74
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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Related Compounds

4-amino-N-[2-[[5-(3-chlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17332186
4-amino-N-[2-[[5-[4-[(1S)-1-hydroxyethyl]phenyl]furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 8639224
4-amino-N-[2-[[5-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 4718519
2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)amino]ethyl-[(2,4-dichlorophenyl)methyl]azanium
CID 7248537
1-(4-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine
CID 71611033
2-chloro-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-4,5-difluorobenzamide
CID 2174440
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919
4-amino-N-[2-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide;hydrochloride
CID 17293086
4-amino-N-[2-[(4-fluorophenyl)methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide
CID 2304316
1-(2-chlorophenyl)-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]methanamine;hydrochloride
CID 17332799
3-butoxy-N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17207840

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 4724324) is 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CILOKCNWEDIIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O3/c17-9-1-3-11(12(18)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).
What are the key properties of 4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 396.23 g/mol, XLogP of 2.74, 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-(2,4-dichlorophenyl)furan-2-yl]methylamino]ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 4724324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).