2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide

C19H21F6N3O5 — CID 137491550

IUPAC2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide
SMILESO=C(COCC1CC(OC(F)(F)F)C1)NC12CC1(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2
InChIInChI=1S/C19H21F6N3O5/c20-18(21,22)32-11-1-9(2-11)5-30-6-13(29)26-17-7-16(17,8-17)15-28-27-14(31-15)10-3-12(4-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)
InChIKeyWHKHJRQTKOYBBX-UHFFFAOYSA-N
MW485.38 g/mol
LogP3.08
Rot. Bonds9

About 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide

2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide (PubChem CID 137491550) has the molecular formula C19H21F6N3O5 and a molecular weight of 485.38 g/mol. Its IUPAC name is 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide.

Molecular Properties

Compound Name2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide
PubChem CID137491550
Molecular FormulaC19H21F6N3O5
Molecular Weight485.38 g/mol
Exact Mass485.14
IUPAC Name2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide
SMILESO=C(COCC1CC(OC(F)(F)F)C1)NC12CC1(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2
InChIInChI=1S/C19H21F6N3O5/c20-18(21,22)32-11-1-9(2-11)5-30-6-13(29)26-17-7-16(17,8-17)15-28-27-14(31-15)10-3-12(4-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)
InChIKeyWHKHJRQTKOYBBX-UHFFFAOYSA-N
XLogP3.08
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide with MolForge

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Related Compounds

CID 137491400
CID 137491400
CID 137491401
CID 137491401
CID 137491408
CID 137491408
CID 137491409
CID 137491409
CID 137491436
CID 137491436
CID 137491514
CID 137491514
CID 137491547
CID 137491547
CID 142528041
CID 142528041
CID 142528103
CID 142528103
CID 142528148
CID 142528148
CID 153530303
CID 153530303
CID 156362989
CID 156362989

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
The IUPAC name of 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide (CID 137491550) is 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide.
What is the SMILES notation for 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
The canonical SMILES for 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide is O=C(COCC1CC(OC(F)(F)F)C1)NC12CC1(c1nnc(C3CC(OC(F)(F)F)C3)o1)C2.
What is the InChIKey of 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
The InChIKey is WHKHJRQTKOYBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6N3O5/c20-18(21,22)32-11-1-9(2-11)5-30-6-13(29)26-17-7-16(17,8-17)15-28-27-14(31-15)10-3-12(4-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29).
What are the key properties of 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide?
2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide has a molecular weight of 485.38 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethoxy)cyclobutyl]methoxy]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.0]butanyl]acetamide is sourced from PubChem (CID 137491550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).