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

C16H14FN3O — CID 62716290

IUPACN-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C16H14FN3O/c1-11-6-8-12(9-7-11)18-10-15-19-16(20-21-15)13-4-2-3-5-14(13)17/h2-9,18H,10H2,1H3
InChIKeyXOJJDVGEDAVCMV-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.80
Rot. Bonds4

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

N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline (PubChem CID 62716290) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline.

Molecular Properties

Compound NameN-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
PubChem CID62716290
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC NameN-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline
SMILESCc1ccc(NCc2nc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C16H14FN3O/c1-11-6-8-12(9-7-11)18-10-15-19-16(20-21-15)13-4-2-3-5-14(13)17/h2-9,18H,10H2,1H3
InChIKeyXOJJDVGEDAVCMV-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

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Related Compounds

4-chloro-N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62716945
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 62716626
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
N-[[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60929102
N-[[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 81261798
N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylbenzamide
CID 110323402
4-methyl-N-[[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 136984502
3-chloro-4-fluoro-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 30776452
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60671278
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62715597
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115080371

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
The IUPAC name of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline (CID 62716290) is N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline.
What is the SMILES notation for N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
The canonical SMILES for N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline is Cc1ccc(NCc2nc(-c3ccccc3F)no2)cc1.
What is the InChIKey of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
The InChIKey is XOJJDVGEDAVCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-11-6-8-12(9-7-11)18-10-15-19-16(20-21-15)13-4-2-3-5-14(13)17/h2-9,18H,10H2,1H3.
What are the key properties of N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline?
N-[[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline 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-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylaniline is sourced from PubChem (CID 62716290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).