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

C23H29N3O3 — CID 50809442

IUPACethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CN2CCCC2c2cc(C(C)C)on2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-28-23(27)15-26-14-17(18-8-5-6-9-20(18)26)13-25-11-7-10-21(25)19-12-22(16(2)3)29-24-19/h5-6,8-9,12,14,16,21H,4,7,10-11,13,15H2,1-3H3
InChIKeyCOSXFYCJZXEVTF-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.65
Rot. Bonds7

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

ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate (PubChem CID 50809442) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate
PubChem CID50809442
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CN2CCCC2c2cc(C(C)C)on2)c2ccccc21
InChIInChI=1S/C23H29N3O3/c1-4-28-23(27)15-26-14-17(18-8-5-6-9-20(18)26)13-25-11-7-10-21(25)19-12-22(16(2)3)29-24-19/h5-6,8-9,12,14,16,21H,4,7,10-11,13,15H2,1-3H3
InChIKeyCOSXFYCJZXEVTF-UHFFFAOYSA-N
XLogP4.65
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate (CID 50809442) is ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate is CCOC(=O)Cn1cc(CN2CCCC2c2cc(C(C)C)on2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
The InChIKey is COSXFYCJZXEVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-4-28-23(27)15-26-14-17(18-8-5-6-9-20(18)26)13-25-11-7-10-21(25)19-12-22(16(2)3)29-24-19/h5-6,8-9,12,14,16,21H,4,7,10-11,13,15H2,1-3H3.
What are the key properties of ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate?
ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate has a molecular weight of 395.50 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]indol-1-yl]acetate is sourced from PubChem (CID 50809442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).