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

C19H18F3N5O3 — CID 167268128

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

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 167268128) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
• PubChem CID: 167268128
• Molecular Formula: C19H18F3N5O3
• Molecular Weight: 421.38 g/mol
• Exact Mass: 421.14
• IUPAC Name: N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide
• SMILES: C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cc2cccn2cn1
• InChI: InChI=1S/C19H18F3N5O3/c1-11(24-17(28)15-9-13-3-2-6-27(13)10-23-15)4-5-16-25-26-18(29-16)12-7-14(8-12)30-19(20,21)22/h2-3,6,9-10,12,14H,1,4-5,7-8H2,(H,24,28)
• InChIKey: GMSLGXZVEYRSAT-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.38
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 167268128) is N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide.

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

The canonical SMILES for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is C=C(CCc1nnc(C2CC(OC(F)(F)F)C2)o1)NC(=O)c1cc2cccn2cn1.

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

The InChIKey is GMSLGXZVEYRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-11(24-17(28)15-9-13-3-2-6-27(13)10-23-15)4-5-16-25-26-18(29-16)12-7-14(8-12)30-19(20,21)22/h2-3,6,9-10,12,14H,1,4-5,7-8H2,(H,24,28).

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

N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 421.38 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-[3-(trifluoromethoxy)cyclobutyl]-1,3,4-oxadiazol-2-yl]but-1-en-2-yl]pyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 167268128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).