2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

C19H21F6N3O5 — CID 137491401

IUPAC2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc([C@H]4C[C@@H]4COC(F)(F)F)o3)(C1)C2
InChIInChI=1S/C19H21F6N3O5/c20-18(21,22)31-4-9-1-12(9)14-27-28-15(32-14)16-6-17(7-16,8-16)26-13(29)5-30-10-2-11(3-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)/t9-,10?,11?,12+,16?,17?/m1/s1
InChIKeyHNEANDDHKDTSMY-GDSCRUELSA-N
MW485.38 g/mol
LogP3.08
Rot. Bonds9

About 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide

2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 137491401) has the molecular formula C19H21F6N3O5 and a molecular weight of 485.38 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID137491401
Molecular FormulaC19H21F6N3O5
Molecular Weight485.38 g/mol
Exact Mass485.14
IUPAC Name2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESO=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc([C@H]4C[C@@H]4COC(F)(F)F)o3)(C1)C2
InChIInChI=1S/C19H21F6N3O5/c20-18(21,22)31-4-9-1-12(9)14-27-28-15(32-14)16-6-17(7-16,8-16)26-13(29)5-30-10-2-11(3-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)/t9-,10?,11?,12+,16?,17?/m1/s1
InChIKeyHNEANDDHKDTSMY-GDSCRUELSA-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]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 137491401) is 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is O=C(COC1CC(OC(F)(F)F)C1)NC12CC(c3nnc([C@H]4C[C@@H]4COC(F)(F)F)o3)(C1)C2.
What is the InChIKey of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is HNEANDDHKDTSMY-GDSCRUELSA-N. The full InChI is InChI=1S/C19H21F6N3O5/c20-18(21,22)31-4-9-1-12(9)14-27-28-15(32-14)16-6-17(7-16,8-16)26-13(29)5-30-10-2-11(3-10)33-19(23,24)25/h9-12H,1-8H2,(H,26,29)/t9-,10?,11?,12+,16?,17?/m1/s1.
What are the key properties of 2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-[3-(trifluoromethoxy)cyclobutyl]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]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]oxy-N-[3-[5-[(1S,2S)-2-(trifluoromethoxymethyl)cyclopropyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 137491401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).