N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide

C₁₇H₁₈F₃N₃O₃ — CID 155768470

About N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide

N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 155768470) has the molecular formula C₁₇H₁₈F₃N₃O₃ and a molecular weight of 369.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 155768470
• Molecular Formula: C₁₇H₁₈F₃N₃O₃
• Molecular Weight: 369.34 g/mol
• Exact Mass: 369.13
• IUPAC Name: N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
• SMILES: CC1(C(=O)N(CCO)Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1
• InChI: InChI=1S/C17H18F3N3O3/c1-16(6-7-16)15(25)23(8-9-24)10-11-2-4-12(5-3-11)13-21-14(26-22-13)17(18,19)20/h2-5,24H,6-10H2,1H3
• InChIKey: FDUIBWPVNPJZTE-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 79.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.34
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide (CID 155768470) is N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide is CC1(C(=O)N(CCO)Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1.

What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is FDUIBWPVNPJZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-16(6-7-16)15(25)23(8-9-24)10-11-2-4-12(5-3-11)13-21-14(26-22-13)17(18,19)20/h2-5,24H,6-10H2,1H3.

What are the key properties of N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide?

N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 369.34 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155768470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155768470 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.