N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C16H14FN3O — CID 43678194

IUPACN-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NCc2cccc(F)c2)n1
InChIInChI=1S/C16H14FN3O/c1-11-19-16(21-20-11)14-7-2-3-8-15(14)18-10-12-5-4-6-13(17)9-12/h2-9,18H,10H2,1H3
InChIKeyGMIIEPYZPLNJQM-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.80
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 43678194) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID43678194
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2ccccc2NCc2cccc(F)c2)n1
InChIInChI=1S/C16H14FN3O/c1-11-19-16(21-20-11)14-7-2-3-8-15(14)18-10-12-5-4-6-13(17)9-12/h2-9,18H,10H2,1H3
InChIKeyGMIIEPYZPLNJQM-UHFFFAOYSA-N
XLogP3.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline 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

3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]methyl]phenol
CID 43678229
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-methylphenyl)methyl]aniline
CID 43678196
N-[(4-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678190
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
N-[(1-ethylpyrrol-3-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 66400103
N-[(6-bromo-2-pyridinyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 115937864
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(thiophen-2-ylmethyl)aniline
CID 43678210
N-[(2-bromophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 43678230
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1H-pyrrol-2-ylmethyl)aniline
CID 62328746
N-[(3-fluorophenyl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43707229
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1-methyltriazol-4-yl)methyl]aniline
CID 62755941
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]propane-1,2-diol
CID 168593514

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 43678194) is N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2ccccc2NCc2cccc(F)c2)n1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is GMIIEPYZPLNJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-19-16(21-20-11)14-7-2-3-8-15(14)18-10-12-5-4-6-13(17)9-12/h2-9,18H,10H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 283.31 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 43678194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).