N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

C20H16F3N3O2 — CID 3292510

About N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide

N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 3292510) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
• PubChem CID: 3292510
• Molecular Formula: C20H16F3N3O2
• Molecular Weight: 387.36 g/mol
• Exact Mass: 387.12
• IUPAC Name: N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide
• SMILES: O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C20H16F3N3O2/c21-20(22,23)16-7-3-6-14(11-16)17(27)24-19-26-25-18(28-19)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,24,26,27)
• InChIKey: OMGSGECDYZOYPF-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.36
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide (CID 3292510) is N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(C(F)(F)F)c1.

What is the InChIKey of N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

The InChIKey is OMGSGECDYZOYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c21-20(22,23)16-7-3-6-14(11-16)17(27)24-19-26-25-18(28-19)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,24,26,27).

What are the key properties of N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide?

N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 387.36 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 3292510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).