4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide

C10H6F3N3O2 — CID 163816150

IUPAC4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1nonc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)6-3-1-2-5(4-6)7-8(9(14)17)16-18-15-7/h1-4H,(H2,14,17)
InChIKeyNRMXZYPWSWXTFB-UHFFFAOYSA-N
MW257.17 g/mol
LogP1.85
Rot. Bonds2

About 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide

4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 163816150) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID163816150
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNC(=O)c1nonc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)6-3-1-2-5(4-6)7-8(9(14)17)16-18-15-7/h1-4H,(H2,14,17)
InChIKeyNRMXZYPWSWXTFB-UHFFFAOYSA-N
XLogP1.85
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[3-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxylate
CID 23465079
2-(trifluoromethyl)-3-[3-(trifluoromethyl)phenyl]benzamide
CID 173180452
5-chloro-2-[3-(trifluoromethyl)phenyl]benzamide
CID 118822797
5-amino-2-[3-(trifluoromethyl)phenyl]benzamide
CID 174888951
2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 53218025
3,4-difluoro-5-[3-(trifluoromethyl)phenyl]benzamide
CID 172648845
3-methylsulfonyl-4-[3-(trifluoromethyl)phenyl]benzamide
CID 122422474
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridin-3-ol
CID 133092048
3,5-dichloro-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134623607
2-fluoro-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55897568
potassium 4-amino-3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate
CID 161274027
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide (CID 163816150) is 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is NC(=O)c1nonc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is NRMXZYPWSWXTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)6-3-1-2-5(4-6)7-8(9(14)17)16-18-15-7/h1-4H,(H2,14,17).
What are the key properties of 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide?
4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 257.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 163816150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).