methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate

C28H34N2O4 — CID 69190019

About methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate

methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate (PubChem CID 69190019) has the molecular formula C28H34N2O4 and a molecular weight of 462.59 g/mol. Its IUPAC name is methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

• Compound Name: methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
• PubChem CID: 69190019
• Molecular Formula: C28H34N2O4
• Molecular Weight: 462.59 g/mol
• Exact Mass: 462.25
• IUPAC Name: methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate
• SMILES: CCC1(C(=O)OC)CCCN1Cc1cccc(OCCc2nc(-c3ccc(C)cc3)oc2C)c1
• InChI: InChI=1S/C28H34N2O4/c1-5-28(27(31)32-4)15-7-16-30(28)19-22-8-6-9-24(18-22)33-17-14-25-21(3)34-26(29-25)23-12-10-20(2)11-13-23/h6,8-13,18H,5,7,14-17,19H2,1-4H3
• InChIKey: ZYZRJRRPHUZVDZ-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 64.80 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.59
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?

The IUPAC name of methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate (CID 69190019) is methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate.

What is the SMILES notation for methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?

The canonical SMILES for methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate is CCC1(C(=O)OC)CCCN1Cc1cccc(OCCc2nc(-c3ccc(C)cc3)oc2C)c1.

What is the InChIKey of methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?

The InChIKey is ZYZRJRRPHUZVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O4/c1-5-28(27(31)32-4)15-7-16-30(28)19-22-8-6-9-24(18-22)33-17-14-25-21(3)34-26(29-25)23-12-10-20(2)11-13-23/h6,8-13,18H,5,7,14-17,19H2,1-4H3.

What are the key properties of methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate?

methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 462.59 g/mol, XLogP of 5.50, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-ethyl-1-[[3-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 69190019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).