[1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate

C20H15F6N3O3 — CID 146469148

About [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate

[1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (PubChem CID 146469148) has the molecular formula C20H15F6N3O3 and a molecular weight of 459.35 g/mol. Its IUPAC name is [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

Molecular Properties

• Compound Name: [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
• PubChem CID: 146469148
• Molecular Formula: C20H15F6N3O3
• Molecular Weight: 459.35 g/mol
• Exact Mass: 459.10
• IUPAC Name: [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate
• SMILES: Cc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)o1
• InChI: InChI=1S/C20H15F6N3O3/c1-10-28-29-17(31-10)9-16(32-18(27)30)12-4-2-3-11(7-12)14-6-5-13(19(21,22)23)8-15(14)20(24,25)26/h2-8,16H,9H2,1H3,(H2,27,30)
• InChIKey: AMQFCGNJTUUKOG-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 91.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	459.35
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?

The IUPAC name of [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate (CID 146469148) is [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate.

What is the SMILES notation for [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?

The canonical SMILES for [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is Cc1nnc(CC(OC(N)=O)c2cccc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)c2)o1.

What is the InChIKey of [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?

The InChIKey is AMQFCGNJTUUKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6N3O3/c1-10-28-29-17(31-10)9-16(32-18(27)30)12-4-2-3-11(7-12)14-6-5-13(19(21,22)23)8-15(14)20(24,25)26/h2-8,16H,9H2,1H3,(H2,27,30).

What are the key properties of [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate?

[1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate has a molecular weight of 459.35 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[2,4-bis(trifluoromethyl)phenyl]phenyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl] carbamate is sourced from PubChem (CID 146469148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).