5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

C24H25F3N6O4 — CID 143146529

About 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide

5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (PubChem CID 143146529) has the molecular formula C24H25F3N6O4 and a molecular weight of 518.50 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
• PubChem CID: 143146529
• Molecular Formula: C24H25F3N6O4
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.19
• IUPAC Name: 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide
• SMILES: CCOC1=NC=CN(C)C1CNC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN
• InChI: InChI=1S/C24H25F3N6O4/c1-4-36-23-15(33(2)10-9-29-23)12-30-21(34)20-17(11-28)37-22(32-20)14-5-7-16(35-3)19-13(14)6-8-18(31-19)24(25,26)27/h5-10,15H,4,11-12,28H2,1-3H3,(H,30,34)
• InChIKey: PTTXICCBLHSMGN-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 128.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

The IUPAC name of 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide (CID 143146529) is 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is CCOC1=NC=CN(C)C1CNC(=O)c1nc(-c2ccc(OC)c3nc(C(F)(F)F)ccc23)oc1CN.

What is the InChIKey of 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

The InChIKey is PTTXICCBLHSMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4/c1-4-36-23-15(33(2)10-9-29-23)12-30-21(34)20-17(11-28)37-22(32-20)14-5-7-16(35-3)19-13(14)6-8-18(31-19)24(25,26)27/h5-10,15H,4,11-12,28H2,1-3H3,(H,30,34).

What are the key properties of 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide?

5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(aminomethyl)-N-[(3-ethoxy-1-methyl-2H-pyrazin-2-yl)methyl]-2-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143146529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).