2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide

C21H21ClF3N3O4 — CID 170641711

IUPAC2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@@H]1CC2(c3nnc(C4CC(OC(F)(F)F)C4)o3)CC1C2
InChIInChI=1S/C21H21ClF3N3O4/c22-13-1-3-14(4-2-13)30-10-17(29)26-16-9-20(7-12(16)8-20)19-28-27-18(31-19)11-5-15(6-11)32-21(23,24)25/h1-4,11-12,15-16H,5-10H2,(H,26,29)/t11?,12?,15?,16-,20?/m1/s1
InChIKeyRMSFBPQVVULCFJ-UZXUJZPASA-N
MW471.86 g/mol
LogP4.12
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide

2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide (PubChem CID 170641711) has the molecular formula C21H21ClF3N3O4 and a molecular weight of 471.86 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
PubChem CID170641711
Molecular FormulaC21H21ClF3N3O4
Molecular Weight471.86 g/mol
Exact Mass471.12
IUPAC Name2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)N[C@@H]1CC2(c3nnc(C4CC(OC(F)(F)F)C4)o3)CC1C2
InChIInChI=1S/C21H21ClF3N3O4/c22-13-1-3-14(4-2-13)30-10-17(29)26-16-9-20(7-12(16)8-20)19-28-27-18(31-19)11-5-15(6-11)32-21(23,24)25/h1-4,11-12,15-16H,5-10H2,(H,26,29)/t11?,12?,15?,16-,20?/m1/s1
InChIKeyRMSFBPQVVULCFJ-UZXUJZPASA-N
XLogP4.12
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[2-hydroxy-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[2.2.2]octanyl]acetamide
CID 155254746
2-(4-chloro-3-fluorophenoxy)-N-[2-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-azaspiro[3.3]heptan-6-yl]acetamide
CID 169019072
3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 166508312
2-(4-chloro-3-fluorophenoxy)-N-[(2S)-4-(5-cyclobutyl-1,3-oxazol-2-yl)-2-bicyclo[2.1.1]hexanyl]acetamide
CID 137491661
2-[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromen-2-yl]-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 155261940
[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 137480136
3-(4-chlorophenyl)-2-hydroxy-N-[2-[1-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]cyclobutyl]ethyl]propanamide
CID 137491556
3-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoline-7-carboxamide
CID 137491666
6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 137491546
2-(3-chlorophenoxy)-N-[3-[5-[3-(trifluoromethoxymethyl)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 162611570
2-(4-chlorophenoxy)-N-[3-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 164785593
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide (CID 170641711) is 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide is O=C(COc1ccc(Cl)cc1)N[C@@H]1CC2(c3nnc(C4CC(OC(F)(F)F)C4)o3)CC1C2.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide?
The InChIKey is RMSFBPQVVULCFJ-UZXUJZPASA-N. The full InChI is InChI=1S/C21H21ClF3N3O4/c22-13-1-3-14(4-2-13)30-10-17(29)26-16-9-20(7-12(16)8-20)19-28-27-18(31-19)11-5-15(6-11)32-21(23,24)25/h1-4,11-12,15-16H,5-10H2,(H,26,29)/t11?,12?,15?,16-,20?/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide?
2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide has a molecular weight of 471.86 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[(2R)-4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-2-bicyclo[2.1.1]hexanyl]acetamide is sourced from PubChem (CID 170641711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).