[3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate

C19H10F7N5O3 — CID 171837628

About [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate

[3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate (PubChem CID 171837628) has the molecular formula C19H10F7N5O3 and a molecular weight of 489.31 g/mol. Its IUPAC name is [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

• Compound Name: [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate
• PubChem CID: 171837628
• Molecular Formula: C19H10F7N5O3
• Molecular Weight: 489.31 g/mol
• Exact Mass: 489.07
• IUPAC Name: [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate
• SMILES: Cc1nc(N(C)C(=O)Oc2c(C(F)(F)F)cc(C(F)(F)F)c(C#N)c2-c2nnco2)ccc1F
• InChI: InChI=1S/C19H10F7N5O3/c1-8-12(20)3-4-13(29-8)31(2)17(32)34-15-11(19(24,25)26)5-10(18(21,22)23)9(6-27)14(15)16-30-28-7-33-16/h3-5,7H,1-2H3
• InChIKey: UYMMRYWSCQVLIC-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 105.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.31
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate?

The IUPAC name of [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate (CID 171837628) is [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate.

What is the SMILES notation for [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate?

The canonical SMILES for [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate is Cc1nc(N(C)C(=O)Oc2c(C(F)(F)F)cc(C(F)(F)F)c(C#N)c2-c2nnco2)ccc1F.

What is the InChIKey of [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate?

The InChIKey is UYMMRYWSCQVLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F7N5O3/c1-8-12(20)3-4-13(29-8)31(2)17(32)34-15-11(19(24,25)26)5-10(18(21,22)23)9(6-27)14(15)16-30-28-7-33-16/h3-5,7H,1-2H3.

What are the key properties of [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate?

[3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate has a molecular weight of 489.31 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-cyano-2-(1,3,4-oxadiazol-2-yl)-4,6-bis(trifluoromethyl)phenyl] N-(5-fluoro-6-methyl-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 171837628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).