3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

C15H14Cl2N4O3 — CID 17084072

IUPAC3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1nc(C2CC2)no1
InChIInChI=1S/C15H14Cl2N4O3/c16-9-3-4-11(17)10(7-9)13(22)18-5-6-19-14(23)15-20-12(21-24-15)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,18,22)(H,19,23)
InChIKeyZFXLFYGWMCLKGM-UHFFFAOYSA-N
MW369.21 g/mol
LogP2.41
Rot. Bonds6

About 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide

3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17084072) has the molecular formula C15H14Cl2N4O3 and a molecular weight of 369.21 g/mol. Its IUPAC name is 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID17084072
Molecular FormulaC15H14Cl2N4O3
Molecular Weight369.21 g/mol
Exact Mass368.04
IUPAC Name3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1nc(C2CC2)no1
InChIInChI=1S/C15H14Cl2N4O3/c16-9-3-4-11(17)10(7-9)13(22)18-5-6-19-14(23)15-20-12(21-24-15)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,18,22)(H,19,23)
InChIKeyZFXLFYGWMCLKGM-UHFFFAOYSA-N
XLogP2.41
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083888
3-cyclopropyl-N-[2-[(2-nitrobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084113
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-3-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
CID 17083461
2,5-dichloro-N-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]benzamide
CID 72717371
N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084945
3-cyclohexyl-N-[2-[(2-methoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083413
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 17083164
3-cyclopropyl-N-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084115
3-cyclohexyl-N-[2-[(3-methylbenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083401
N-[2-[(2,4-dichlorobenzoyl)amino]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083473
2,5-dichloro-N-[2-(methylamino)ethyl]benzamide
CID 62659102
N-(cyclopentylmethyl)-3-cyclopropyl-1,2,4-oxadiazole-5-carboxamide
CID 155953439

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 17084072) is 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is ZFXLFYGWMCLKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O3/c16-9-3-4-11(17)10(7-9)13(22)18-5-6-19-14(23)15-20-12(21-24-15)8-1-2-8/h3-4,7-8H,1-2,5-6H2,(H,18,22)(H,19,23).
What are the key properties of 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 369.21 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[2-[(2,5-dichlorobenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17084072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).