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

C21H17ClF3N5O3 — CID 177382721

IUPAC6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C21H17ClF3N5O3/c22-11-1-2-13-14(5-11)26-6-15(27-13)16(31)28-20-7-19(8-20,9-20)18-30-29-17(32-18)10-3-12(4-10)33-21(23,24)25/h1-2,5-6,10,12H,3-4,7-9H2,(H,28,31)
InChIKeySNICYSSZXSOPER-UHFFFAOYSA-N
MW479.85 g/mol
LogP4.05
Rot. Bonds5

About 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide

6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide (PubChem CID 177382721) has the molecular formula C21H17ClF3N5O3 and a molecular weight of 479.85 g/mol. Its IUPAC name is 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
PubChem CID177382721
Molecular FormulaC21H17ClF3N5O3
Molecular Weight479.85 g/mol
Exact Mass479.10
IUPAC Name6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide
SMILESO=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cnc2cc(Cl)ccc2n1
InChIInChI=1S/C21H17ClF3N5O3/c22-11-1-2-13-14(5-11)26-6-15(27-13)16(31)28-20-7-19(8-20,9-20)18-30-29-17(32-18)10-3-12(4-10)33-21(23,24)25/h1-2,5-6,10,12H,3-4,7-9H2,(H,28,31)
InChIKeySNICYSSZXSOPER-UHFFFAOYSA-N
XLogP4.05
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
The IUPAC name of 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide (CID 177382721) is 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
The canonical SMILES for 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide is O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cnc2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
The InChIKey is SNICYSSZXSOPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF3N5O3/c22-11-1-2-13-14(5-11)26-6-15(27-13)16(31)28-20-7-19(8-20,9-20)18-30-29-17(32-18)10-3-12(4-10)33-21(23,24)25/h1-2,5-6,10,12H,3-4,7-9H2,(H,28,31).
What are the key properties of 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide?
6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide has a molecular weight of 479.85 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 177382721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).