ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate

C24H31N3O3 — CID 53030993

IUPACethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(CN2CCCC2c2cc(C(C)C)no2)c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-5-29-24(28)15-27-17(4)19(18-9-6-7-10-21(18)27)14-26-12-8-11-22(26)23-13-20(16(2)3)25-30-23/h6-7,9-10,13,16,22H,5,8,11-12,14-15H2,1-4H3
InChIKeyYQEPXCRTKZAUMS-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.96
Rot. Bonds7

About ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate

ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate (PubChem CID 53030993) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate
PubChem CID53030993
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Nameethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1c(C)c(CN2CCCC2c2cc(C(C)C)no2)c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-5-29-24(28)15-27-17(4)19(18-9-6-7-10-21(18)27)14-26-12-8-11-22(26)23-13-20(16(2)3)25-30-23/h6-7,9-10,13,16,22H,5,8,11-12,14-15H2,1-4H3
InChIKeyYQEPXCRTKZAUMS-UHFFFAOYSA-N
XLogP4.96
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate 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 ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate (CID 53030993) is ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate is CCOC(=O)Cn1c(C)c(CN2CCCC2c2cc(C(C)C)no2)c2ccccc21.
What is the InChIKey of ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
The InChIKey is YQEPXCRTKZAUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-5-29-24(28)15-27-17(4)19(18-9-6-7-10-21(18)27)14-26-12-8-11-22(26)23-13-20(16(2)3)25-30-23/h6-7,9-10,13,16,22H,5,8,11-12,14-15H2,1-4H3.
What are the key properties of ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate has a molecular weight of 409.53 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methyl-3-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate is sourced from PubChem (CID 53030993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).