3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide

C20H20ClF3N4O3 — CID 166508312

IUPAC3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESO=C(CCc1ccc(Cl)cn1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C20H20ClF3N4O3/c21-12-1-2-13(25-7-12)3-4-15(29)26-19-8-18(9-19,10-19)17-28-27-16(30-17)11-5-14(6-11)31-20(22,23)24/h1-2,7,11,14H,3-6,8-10H2,(H,26,29)
InChIKeyRWRVBPXYTBPKQM-UHFFFAOYSA-N
MW456.85 g/mol
LogP3.82
Rot. Bonds7

About 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide

3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide (PubChem CID 166508312) has the molecular formula C20H20ClF3N4O3 and a molecular weight of 456.85 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
PubChem CID166508312
Molecular FormulaC20H20ClF3N4O3
Molecular Weight456.85 g/mol
Exact Mass456.12
IUPAC Name3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESO=C(CCc1ccc(Cl)cn1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2
InChIInChI=1S/C20H20ClF3N4O3/c21-12-1-2-13(25-7-12)3-4-15(29)26-19-8-18(9-19,10-19)17-28-27-16(30-17)11-5-14(6-11)31-20(22,23)24/h1-2,7,11,14H,3-6,8-10H2,(H,26,29)
InChIKeyRWRVBPXYTBPKQM-UHFFFAOYSA-N
XLogP3.82
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide?
The IUPAC name of 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) is 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide is O=C(CCc1ccc(Cl)cn1)NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide?
The InChIKey is RWRVBPXYTBPKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF3N4O3/c21-12-1-2-13(25-7-12)3-4-15(29)26-19-8-18(9-19,10-19)17-28-27-16(30-17)11-5-14(6-11)31-20(22,23)24/h1-2,7,11,14H,3-6,8-10H2,(H,26,29).
What are the key properties of 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide?
3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide has a molecular weight of 456.85 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]propanamide is sourced from PubChem (CID 166508312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).