[6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid

C20H16F6N4O5 — CID 89443791

About [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid

[6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid (PubChem CID 89443791) has the molecular formula C20H16F6N4O5 and a molecular weight of 506.36 g/mol. Its IUPAC name is [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid.

Molecular Properties

• Compound Name: [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid
• PubChem CID: 89443791
• Molecular Formula: C20H16F6N4O5
• Molecular Weight: 506.36 g/mol
• Exact Mass: 506.10
• IUPAC Name: [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid
• SMILES: COc1nc(-c2nnc(C(C)(OCc3ccccc3)C(F)(F)F)o2)c(NC(=O)O)cc1C(F)(F)F
• InChI: InChI=1S/C20H16F6N4O5/c1-18(20(24,25)26,34-9-10-6-4-3-5-7-10)16-30-29-15(35-16)13-12(27-17(31)32)8-11(19(21,22)23)14(28-13)33-2/h3-8,27H,9H2,1-2H3,(H,31,32)
• InChIKey: XMEPSSLKBUHKNF-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 119.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.36
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid?

The IUPAC name of [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid (CID 89443791) is [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid.

What is the SMILES notation for [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid?

The canonical SMILES for [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid is COc1nc(-c2nnc(C(C)(OCc3ccccc3)C(F)(F)F)o2)c(NC(=O)O)cc1C(F)(F)F.

What is the InChIKey of [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid?

The InChIKey is XMEPSSLKBUHKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F6N4O5/c1-18(20(24,25)26,34-9-10-6-4-3-5-7-10)16-30-29-15(35-16)13-12(27-17(31)32)8-11(19(21,22)23)14(28-13)33-2/h3-8,27H,9H2,1-2H3,(H,31,32).

What are the key properties of [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid?

[6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid has a molecular weight of 506.36 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-methoxy-5-(trifluoromethyl)-2-[5-(1,1,1-trifluoro-2-phenylmethoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-pyridinyl]carbamic acid is sourced from PubChem (CID 89443791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).