6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine

C20H14F3N3O — CID 165027490

IUPAC6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine
SMILESCc1ccc(-c2nnc(-c3ccc4cc(N)ccc4c3)o2)cc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O/c1-11-2-3-15(10-17(11)20(21,22)23)19-26-25-18(27-19)14-5-4-13-9-16(24)7-6-12(13)8-14/h2-10H,24H2,1H3
InChIKeyLGERAFWNRBYOGC-UHFFFAOYSA-N
MW369.35 g/mol
LogP5.47
Rot. Bonds2

About 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine

6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine (PubChem CID 165027490) has the molecular formula C20H14F3N3O and a molecular weight of 369.35 g/mol. Its IUPAC name is 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine.

Molecular Properties

Compound Name6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine
PubChem CID165027490
Molecular FormulaC20H14F3N3O
Molecular Weight369.35 g/mol
Exact Mass369.11
IUPAC Name6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine
SMILESCc1ccc(-c2nnc(-c3ccc4cc(N)ccc4c3)o2)cc1C(F)(F)F
InChIInChI=1S/C20H14F3N3O/c1-11-2-3-15(10-17(11)20(21,22)23)19-26-25-18(27-19)14-5-4-13-9-16(24)7-6-12(13)8-14/h2-10H,24H2,1H3
InChIKeyLGERAFWNRBYOGC-UHFFFAOYSA-N
XLogP5.47
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
The IUPAC name of 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine (CID 165027490) is 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine.
What is the SMILES notation for 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
The canonical SMILES for 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine is Cc1ccc(-c2nnc(-c3ccc4cc(N)ccc4c3)o2)cc1C(F)(F)F.
What is the InChIKey of 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
The InChIKey is LGERAFWNRBYOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O/c1-11-2-3-15(10-17(11)20(21,22)23)19-26-25-18(27-19)14-5-4-13-9-16(24)7-6-12(13)8-14/h2-10H,24H2,1H3.
What are the key properties of 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine has a molecular weight of 369.35 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-methyl-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine is sourced from PubChem (CID 165027490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).