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

C15H12FN3O — CID 60671278

IUPACN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFc1ccc(-c2noc(CNc3ccccc3)n2)cc1
InChIInChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15-18-14(20-19-15)10-17-13-4-2-1-3-5-13/h1-9,17H,10H2
InChIKeyGPJRTBJXAXQISQ-UHFFFAOYSA-N
MW269.28 g/mol
LogP3.49
Rot. Bonds4

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

N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 60671278) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID60671278
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC NameN-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESFc1ccc(-c2noc(CNc3ccccc3)n2)cc1
InChIInChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15-18-14(20-19-15)10-17-13-4-2-1-3-5-13/h1-9,17H,10H2
InChIKeyGPJRTBJXAXQISQ-UHFFFAOYSA-N
XLogP3.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 86908644
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-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-difluoroaniline
CID 51282441
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60683326
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
N-[[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 136984338
3,5-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771037
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(4-fluorophenyl)-1-phenylmethanamine
CID 55897601
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 60672066
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 60672878

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 60671278) is N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is Fc1ccc(-c2noc(CNc3ccccc3)n2)cc1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is GPJRTBJXAXQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-8-6-11(7-9-12)15-18-14(20-19-15)10-17-13-4-2-1-3-5-13/h1-9,17H,10H2.
What are the key properties of N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline has a molecular weight of 269.28 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 60671278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).