1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine

C11H8F5N3O2 — CID 135352333

IUPAC1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine
SMILESCONCc1cc(F)c(-c2noc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C11H8F5N3O2/c1-20-17-4-5-2-6(12)8(7(13)3-5)9-18-10(21-19-9)11(14,15)16/h2-3,17H,4H2,1H3
InChIKeyOTDIRHNLUAMVEI-UHFFFAOYSA-N
MW309.19 g/mol
LogP2.68
Rot. Bonds4

About 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine

1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine (PubChem CID 135352333) has the molecular formula C11H8F5N3O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine
PubChem CID135352333
Molecular FormulaC11H8F5N3O2
Molecular Weight309.19 g/mol
Exact Mass309.05
IUPAC Name1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine
SMILESCONCc1cc(F)c(-c2noc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C11H8F5N3O2/c1-20-17-4-5-2-6(12)8(7(13)3-5)9-18-10(21-19-9)11(14,15)16/h2-3,17H,4H2,1H3
InChIKeyOTDIRHNLUAMVEI-UHFFFAOYSA-N
XLogP2.68
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine 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

N-methoxy-1-(3,4,5-trifluorophenyl)methanamine
CID 82706221
N-[[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methoxy]methanamine
CID 146521207
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
1-methoxy-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 135326270
N-[[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N,2-dimethoxypropanamide
CID 135283747
1-(3-bromo-4,5-difluorophenyl)-N-methoxymethanamine
CID 117383021
3-[(4-methoxyphenyl)methylamino]-4-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methylamino]cyclobut-3-ene-1,2-dione
CID 155708382
2-methoxy-2-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 135281400
2-fluoro-N-[2-(methoxyamino)propyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 166876041
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
N-[[2-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-oxobutanamide
CID 137366797
2,2-difluoro-N-[[3-fluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
CID 137366519

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine?
The IUPAC name of 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine (CID 135352333) is 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine.
What is the SMILES notation for 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine?
The canonical SMILES for 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine is CONCc1cc(F)c(-c2noc(C(F)(F)F)n2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine?
The InChIKey is OTDIRHNLUAMVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5N3O2/c1-20-17-4-5-2-6(12)8(7(13)3-5)9-18-10(21-19-9)11(14,15)16/h2-3,17H,4H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine?
1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine has a molecular weight of 309.19 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-N-methoxymethanamine is sourced from PubChem (CID 135352333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).