2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide

C19H24F3N3O4 — CID 167267249

IUPAC2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)COC1CC2(CC2)C1
InChIInChI=1S/C19H24F3N3O4/c1-11(23-15(26)10-27-14-8-18(9-14)4-5-18)2-3-16-24-25-17(28-16)12-6-13(7-12)29-19(20,21)22/h12-14H,1-10H2,(H,23,26)
InChIKeyOERZOJLQFRAJAI-UHFFFAOYSA-N
MW415.41 g/mol
LogP3.37
Rot. Bonds9

About 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide

2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide (PubChem CID 167267249) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide.

Molecular Properties

Compound Name2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
PubChem CID167267249
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC Name2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide
SMILESC=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)COC1CC2(CC2)C1
InChIInChI=1S/C19H24F3N3O4/c1-11(23-15(26)10-27-14-8-18(9-14)4-5-18)2-3-16-24-25-17(28-16)12-6-13(7-12)29-19(20,21)22/h12-14H,1-10H2,(H,23,26)
InChIKeyOERZOJLQFRAJAI-UHFFFAOYSA-N
XLogP3.37
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The IUPAC name of 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide (CID 167267249) is 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide.
What is the SMILES notation for 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The canonical SMILES for 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)COC1CC2(CC2)C1.
What is the InChIKey of 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
The InChIKey is OERZOJLQFRAJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O4/c1-11(23-15(26)10-27-14-8-18(9-14)4-5-18)2-3-16-24-25-17(28-16)12-6-13(7-12)29-19(20,21)22/h12-14H,1-10H2,(H,23,26).
What are the key properties of 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide?
2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide has a molecular weight of 415.41 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[2.3]hexan-5-yloxy-N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]acetamide is sourced from PubChem (CID 167267249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).