N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide

C9H4F3N3O2 — CID 84579000

IUPACN-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnon1
InChIInChI=1S/C9H4F3N3O2/c10-4-1-2-5(8(12)7(4)11)14-9(16)6-3-13-17-15-6/h1-3H,(H,14,16)
InChIKeyZGYALERMKDNTRV-UHFFFAOYSA-N
MW243.14 g/mol
LogP1.74
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide

N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide (PubChem CID 84579000) has the molecular formula C9H4F3N3O2 and a molecular weight of 243.14 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide
PubChem CID84579000
Molecular FormulaC9H4F3N3O2
Molecular Weight243.14 g/mol
Exact Mass243.03
IUPAC NameN-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnon1
InChIInChI=1S/C9H4F3N3O2/c10-4-1-2-5(8(12)7(4)11)14-9(16)6-3-13-17-15-6/h1-3H,(H,14,16)
InChIKeyZGYALERMKDNTRV-UHFFFAOYSA-N
XLogP1.74
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 30430877
N-(2,3,4-trifluorophenyl)carbamoyl chloride
CID 135378895
6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 113200317
4-methyl-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 110865121
5-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109197557
5-(2,6-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109200966
6-hydrazinyl-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 62237786
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
4-(diethylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109216613
2,6-dichloro-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 52762530
5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109183232
2-thiophen-2-yl-N-(2,3,4-trifluorophenyl)-1,3-thiazole-4-carboxamide
CID 27826298

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide (CID 84579000) is N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cnon1.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZGYALERMKDNTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3N3O2/c10-4-1-2-5(8(12)7(4)11)14-9(16)6-3-13-17-15-6/h1-3H,(H,14,16).
What are the key properties of N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide?
N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 243.14 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 84579000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).