propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate

C26H33F3N4O3 — CID 138733395

About propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate

propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate (PubChem CID 138733395) has the molecular formula C26H33F3N4O3 and a molecular weight of 506.57 g/mol. Its IUPAC name is propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
• PubChem CID: 138733395
• Molecular Formula: C26H33F3N4O3
• Molecular Weight: 506.57 g/mol
• Exact Mass: 506.25
• IUPAC Name: propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
• SMILES: Cc1noc(C)c1-c1ccn2c(C(C)N3CCN(CC(F)(F)F)CC3)c(C)c(C(=O)OC(C)C)cc12
• InChI: InChI=1S/C26H33F3N4O3/c1-15(2)35-25(34)21-13-22-20(23-17(4)30-36-19(23)6)7-8-33(22)24(16(21)3)18(5)32-11-9-31(10-12-32)14-26(27,28)29/h7-8,13,15,18H,9-12,14H2,1-6H3
• InChIKey: UJWKZNBLAZYBCG-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 63.22 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.57
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate?

The IUPAC name of propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate (CID 138733395) is propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate.

What is the SMILES notation for propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate?

The canonical SMILES for propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate is Cc1noc(C)c1-c1ccn2c(C(C)N3CCN(CC(F)(F)F)CC3)c(C)c(C(=O)OC(C)C)cc12.

What is the InChIKey of propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate?

The InChIKey is UJWKZNBLAZYBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F3N4O3/c1-15(2)35-25(34)21-13-22-20(23-17(4)30-36-19(23)6)7-8-33(22)24(16(21)3)18(5)32-11-9-31(10-12-32)14-26(27,28)29/h7-8,13,15,18H,9-12,14H2,1-6H3.

What are the key properties of propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate?

propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate has a molecular weight of 506.57 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate is sourced from PubChem (CID 138733395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).