N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide

C10H5ClFN3O3 — CID 58941813

IUPACN-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide
SMILESO=Cc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H5ClFN3O3/c11-6-3-5(1-2-7(6)12)13-10(17)9-8(4-16)14-18-15-9/h1-4H,(H,13,17)
InChIKeyCQJFDEHBHAEGCU-UHFFFAOYSA-N
MW269.62 g/mol
LogP1.93
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide

N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 58941813) has the molecular formula C10H5ClFN3O3 and a molecular weight of 269.62 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID58941813
Molecular FormulaC10H5ClFN3O3
Molecular Weight269.62 g/mol
Exact Mass269.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide
SMILESO=Cc1nonc1C(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C10H5ClFN3O3/c11-6-3-5(1-2-7(6)12)13-10(17)9-8(4-16)14-18-15-9/h1-4H,(H,13,17)
InChIKeyCQJFDEHBHAEGCU-UHFFFAOYSA-N
XLogP1.93
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.62
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-1,2,5-oxadiazol-3-yl]prop-2-enoate
CID 58941780
N-(3-chloro-4-fluorophenyl)-4-propyl-1,2,5-oxadiazole-3-carboxamide
CID 123163762
N-(3-chloro-4-fluorophenyl)-4-(2-methoxyethyl)-1,2,5-oxadiazole-3-carboxamide
CID 58941929
N-(3-chloro-4-fluorophenyl)-2-formyl-1,3-oxazole-4-carboxamide
CID 170213760
N-(3-chloro-4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110859321
2,5-dichloro-N-(3-chloro-4-fluorophenyl)benzamide
CID 690469
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560
N-(3-chloro-4-fluorophenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
CID 20866826
4-amino-N-(4-carbamoyl-3-chlorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 62688148
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
ethyl 3-[(3-chloro-4-fluorophenyl)carbamoyl]pyrazine-2-carboxylate
CID 23633120

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide (CID 58941813) is N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide is O=Cc1nonc1C(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is CQJFDEHBHAEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClFN3O3/c11-6-3-5(1-2-7(6)12)13-10(17)9-8(4-16)14-18-15-9/h1-4H,(H,13,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 269.62 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-formyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 58941813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).