2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

C20H27N3O5 — CID 46366633

IUPAC2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H27N3O5/c1-6-15-18(12(2)22-28-15)14-8-7-9-23(14)20(24)21-13-10-16(25-3)19(27-5)17(11-13)26-4/h10-11,14H,6-9H2,1-5H3,(H,21,24)
InChIKeyWRCYEDHBKJEWPL-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.94
Rot. Bonds6

About 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide

2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (PubChem CID 46366633) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
PubChem CID46366633
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
SMILESCCc1onc(C)c1C1CCCN1C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H27N3O5/c1-6-15-18(12(2)22-28-15)14-8-7-9-23(14)20(24)21-13-10-16(25-3)19(27-5)17(11-13)26-4/h10-11,14H,6-9H2,1-5H3,(H,21,24)
InChIKeyWRCYEDHBKJEWPL-UHFFFAOYSA-N
XLogP3.94
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide (CID 46366633) is 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is CCc1onc(C)c1C1CCCN1C(=O)Nc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
The InChIKey is WRCYEDHBKJEWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-6-15-18(12(2)22-28-15)14-8-7-9-23(14)20(24)21-13-10-16(25-3)19(27-5)17(11-13)26-4/h10-11,14H,6-9H2,1-5H3,(H,21,24).
What are the key properties of 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide?
2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide has a molecular weight of 389.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-N-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 46366633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).