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

C19H13F3N4O — CID 167165400

IUPAC6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine
SMILESNc1ccc2cc(-c3nnc(-c4ccc(N)c(C(F)(F)F)c4)o3)ccc2c1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)15-9-13(4-6-16(15)24)18-26-25-17(27-18)12-2-1-11-8-14(23)5-3-10(11)7-12/h1-9H,23-24H2
InChIKeyQRIAWWLJJNKQSV-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.74
Rot. Bonds2

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

6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine (PubChem CID 167165400) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine.

Molecular Properties

Compound Name6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine
PubChem CID167165400
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine
SMILESNc1ccc2cc(-c3nnc(-c4ccc(N)c(C(F)(F)F)c4)o3)ccc2c1
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)15-9-13(4-6-16(15)24)18-26-25-17(27-18)12-2-1-11-8-14(23)5-3-10(11)7-12/h1-9H,23-24H2
InChIKeyQRIAWWLJJNKQSV-UHFFFAOYSA-N
XLogP4.74
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
The IUPAC name of 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine (CID 167165400) is 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine.
What is the SMILES notation for 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
The canonical SMILES for 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine is Nc1ccc2cc(-c3nnc(-c4ccc(N)c(C(F)(F)F)c4)o3)ccc2c1.
What is the InChIKey of 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
The InChIKey is QRIAWWLJJNKQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)15-9-13(4-6-16(15)24)18-26-25-17(27-18)12-2-1-11-8-14(23)5-3-10(11)7-12/h1-9H,23-24H2.
What are the key properties of 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine?
6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine has a molecular weight of 370.33 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-amino-3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]naphthalen-2-amine is sourced from PubChem (CID 167165400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).