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

C17H16FN3O — CID 86783165

IUPACN-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2cccc(NC(C)c3cccc(F)c3)c2)o1
InChIInChI=1S/C17H16FN3O/c1-11(13-5-3-7-15(18)9-13)19-16-8-4-6-14(10-16)17-21-20-12(2)22-17/h3-11,19H,1-2H3
InChIKeyMYIMIDUUIIQNOV-UHFFFAOYSA-N
MW297.33 g/mol
LogP4.36
Rot. Bonds4

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

N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (PubChem CID 86783165) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
PubChem CID86783165
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
SMILESCc1nnc(-c2cccc(NC(C)c3cccc(F)c3)c2)o1
InChIInChI=1S/C17H16FN3O/c1-11(13-5-3-7-15(18)9-13)19-16-8-4-6-14(10-16)17-21-20-12(2)22-17/h3-11,19H,1-2H3
InChIKeyMYIMIDUUIIQNOV-UHFFFAOYSA-N
XLogP4.36
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline (CID 86783165) is N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is Cc1nnc(-c2cccc(NC(C)c3cccc(F)c3)c2)o1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is MYIMIDUUIIQNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-11(13-5-3-7-15(18)9-13)19-16-8-4-6-14(10-16)17-21-20-12(2)22-17/h3-11,19H,1-2H3.
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline?
N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 297.33 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-3-(5-methyl-1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 86783165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).