4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride

C17H13Cl2F3N4O3 — CID 134205371

About 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride

4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride (PubChem CID 134205371) has the molecular formula C17H13Cl2F3N4O3 and a molecular weight of 449.22 g/mol. Its IUPAC name is 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride.

Molecular Properties

• Compound Name: 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
• PubChem CID: 134205371
• Molecular Formula: C17H13Cl2F3N4O3
• Molecular Weight: 449.22 g/mol
• Exact Mass: 448.03
• IUPAC Name: 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride
• SMILES: Cl.O=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cn2)no1)c1ccc(Cl)cc1
• InChI: InChI=1S/C17H12ClF3N4O3.ClH/c18-11-4-1-9(2-5-11)15(27)23-13(8-26)16-24-14(25-28-16)12-6-3-10(7-22-12)17(19,20)21;/h1-7,13,26H,8H2,(H,23,27);1H
• InChIKey: QQYUSKYPXRZNTJ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 101.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.22
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?

The IUPAC name of 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride (CID 134205371) is 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride.

What is the SMILES notation for 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?

The canonical SMILES for 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride is Cl.O=C(NC(CO)c1nc(-c2ccc(C(F)(F)F)cn2)no1)c1ccc(Cl)cc1.

What is the InChIKey of 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?

The InChIKey is QQYUSKYPXRZNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N4O3.ClH/c18-11-4-1-9(2-5-11)15(27)23-13(8-26)16-24-14(25-28-16)12-6-3-10(7-22-12)17(19,20)21;/h1-7,13,26H,8H2,(H,23,27);1H.

What are the key properties of 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride?

4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride has a molecular weight of 449.22 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-hydroxy-1-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide;hydrochloride is sourced from PubChem (CID 134205371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).