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

C18H23N3O4 — CID 47001165

IUPACN-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2ccc(OC)cc2OC)on1
InChIInChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)15-6-5-9-21(15)18(22)19-14-8-7-13(23-2)11-16(14)24-3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyVWYJUPHKCSYHFZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP3.62
Rot. Bonds5

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

N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001165) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001165
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2ccc(OC)cc2OC)on1
InChIInChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)15-6-5-9-21(15)18(22)19-14-8-7-13(23-2)11-16(14)24-3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyVWYJUPHKCSYHFZ-UHFFFAOYSA-N
XLogP3.62
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001165) is N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)Nc2ccc(OC)cc2OC)on1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is VWYJUPHKCSYHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-12-10-17(25-20-12)15-6-5-9-21(15)18(22)19-14-8-7-13(23-2)11-16(14)24-3/h7-8,10-11,15H,4-6,9H2,1-3H3,(H,19,22).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).