N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

C20H18F3N5O3 — CID 137491545

About N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 137491545) has the molecular formula C20H18F3N5O3 and a molecular weight of 433.39 g/mol. Its IUPAC name is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
• PubChem CID: 137491545
• Molecular Formula: C20H18F3N5O3
• Molecular Weight: 433.39 g/mol
• Exact Mass: 433.14
• IUPAC Name: N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
• SMILES: O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cc2cccn2cn1
• InChI: InChI=1S/C20H18F3N5O3/c21-20(22,23)31-13-4-11(5-13)16-26-27-17(30-16)18-7-19(8-18,9-18)25-15(29)14-6-12-2-1-3-28(12)10-24-14/h1-3,6,10-11,13H,4-5,7-9H2,(H,25,29)
• InChIKey: PSWDWZZIORFECS-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.39
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?

The IUPAC name of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 137491545) is N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?

The canonical SMILES for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is O=C(NC12CC(c3nnc(C4CC(OC(F)(F)F)C4)o3)(C1)C2)c1cc2cccn2cn1.

What is the InChIKey of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?

The InChIKey is PSWDWZZIORFECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3/c21-20(22,23)31-13-4-11(5-13)16-26-27-17(30-16)18-7-19(8-18,9-18)25-15(29)14-6-12-2-1-3-28(12)10-24-14/h1-3,6,10-11,13H,4-5,7-9H2,(H,25,29).

What are the key properties of N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide?

N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 433.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 137491545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).