3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine

C11H10F3N3O — CID 75358121

IUPAC3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O/c1-7-16-10(18-17-7)15-6-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyUFNWQHFEDYSAHC-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.01
Rot. Bonds3

About 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine

3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine (PubChem CID 75358121) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
PubChem CID75358121
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H10F3N3O/c1-7-16-10(18-17-7)15-6-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyUFNWQHFEDYSAHC-UHFFFAOYSA-N
XLogP3.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
chloromethane;2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 155686412
6-methyl-2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carbonitrile
CID 107543356
3-methyl-5-[1-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethyl]-1,2,4-oxadiazole
CID 56783992
2-methyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]benzene-1,4-diamine
CID 43436206
N-[[3-(trifluoromethyl)phenyl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-amine
CID 95803520
2,5-dichloro-4-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 104726294
N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 10658372
5-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-11,14,17-trioxa-4,6-diazatricyclo[8.7.0.03,8]heptadeca-1(10),2,4,6,8-pentaen-7-amine
CID 167153847
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
4-bromo-2,6-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]aniline
CID 29016762

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine (CID 75358121) is 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine?
The InChIKey is UFNWQHFEDYSAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-7-16-10(18-17-7)15-6-8-3-2-4-9(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine?
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine has a molecular weight of 257.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 75358121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).