N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline

C10H8F3N3O — CID 114184358

IUPACN-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1ncon1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-4-8(7)14-5-9-15-6-17-16-9/h1-4,6,14H,5H2
InChIKeyAHABYHSUFZNQEI-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.70
Rot. Bonds3

About N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline

N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline (PubChem CID 114184358) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
PubChem CID114184358
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccccc1NCc1ncon1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-4-8(7)14-5-9-15-6-17-16-9/h1-4,6,14H,5H2
InChIKeyAHABYHSUFZNQEI-UHFFFAOYSA-N
XLogP2.70
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline
CID 114184328
3-fluoro-1-N-(1,2,4-oxadiazol-3-ylmethyl)benzene-1,2-diamine
CID 106393336
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312935
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 55110167
2-chloro-6-(1,2,4-oxadiazol-3-ylmethylamino)benzenecarbothioamide
CID 106399671
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 55170334
N-[(4-bromothiophen-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28972863
2,3-difluoro-4-(1,2,4-oxadiazol-3-ylmethylamino)benzonitrile
CID 114183778
N-(1,2,4-oxadiazol-3-ylmethyl)-4-(trifluoromethylsulfonyl)aniline
CID 106403444
N-[(4,5-dibromofuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 63419478
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264

Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline (CID 114184358) is N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline is FC(F)(F)c1ccccc1NCc1ncon1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
The InChIKey is AHABYHSUFZNQEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)7-3-1-2-4-8(7)14-5-9-15-6-17-16-9/h1-4,6,14H,5H2.
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline?
N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline has a molecular weight of 243.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethyl)-2-(trifluoromethyl)aniline is sourced from PubChem (CID 114184358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).