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

C20H26F3N3O4 — CID 158649857

IUPAC2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESC[C@H]1CCC(OCC(=O)NC23CC(c4nnc(C5CC(OC(F)(F)F)C5)o4)(C2)C3)C1
InChIInChI=1S/C20H26F3N3O4/c1-11-2-3-13(4-11)28-7-15(27)24-19-8-18(9-19,10-19)17-26-25-16(29-17)12-5-14(6-12)30-20(21,22)23/h11-14H,2-10H2,1H3,(H,24,27)/t11-,12?,13?,14?,18?,19?/m0/s1
InChIKeyIBKLECUVPPJJSI-VNJXPIIVSA-N
MW429.44 g/mol
LogP3.35
Rot. Bonds7

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

2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (PubChem CID 158649857) has the molecular formula C20H26F3N3O4 and a molecular weight of 429.44 g/mol. Its IUPAC name is 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
PubChem CID158649857
Molecular FormulaC20H26F3N3O4
Molecular Weight429.44 g/mol
Exact Mass429.19
IUPAC Name2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
SMILESC[C@H]1CCC(OCC(=O)NC23CC(c4nnc(C5CC(OC(F)(F)F)C5)o4)(C2)C3)C1
InChIInChI=1S/C20H26F3N3O4/c1-11-2-3-13(4-11)28-7-15(27)24-19-8-18(9-19,10-19)17-26-25-16(29-17)12-5-14(6-12)30-20(21,22)23/h11-14H,2-10H2,1H3,(H,24,27)/t11-,12?,13?,14?,18?,19?/m0/s1
InChIKeyIBKLECUVPPJJSI-VNJXPIIVSA-N
XLogP3.35
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-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-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The IUPAC name of 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide (CID 158649857) is 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide.
What is the SMILES notation for 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The canonical SMILES for 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is C[C@H]1CCC(OCC(=O)NC23CC(c4nnc(C5CC(OC(F)(F)F)C5)o4)(C2)C3)C1.
What is the InChIKey of 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
The InChIKey is IBKLECUVPPJJSI-VNJXPIIVSA-N. The full InChI is InChI=1S/C20H26F3N3O4/c1-11-2-3-13(4-11)28-7-15(27)24-19-8-18(9-19,10-19)17-26-25-16(29-17)12-5-14(6-12)30-20(21,22)23/h11-14H,2-10H2,1H3,(H,24,27)/t11-,12?,13?,14?,18?,19?/m0/s1.
What are the key properties of 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide?
2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide has a molecular weight of 429.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-methylcyclopentyl]oxy-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide is sourced from PubChem (CID 158649857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).