ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate

C18H27N3O4 — CID 47053811

IUPACethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCCC2c2cc(C)no2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-24-18(23)14-6-9-20(10-7-14)17(22)12-21-8-4-5-15(21)16-11-13(2)19-25-16/h11,14-15H,3-10,12H2,1-2H3
InChIKeyWPTDDWFQYRCAFL-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.92
Rot. Bonds5

About ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate (PubChem CID 47053811) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
PubChem CID47053811
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CN2CCCC2c2cc(C)no2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-24-18(23)14-6-9-20(10-7-14)17(22)12-21-8-4-5-15(21)16-11-13(2)19-25-16/h11,14-15H,3-10,12H2,1-2H3
InChIKeyWPTDDWFQYRCAFL-UHFFFAOYSA-N
XLogP1.92
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate (CID 47053811) is ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CN2CCCC2c2cc(C)no2)CC1.
What is the InChIKey of ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
The InChIKey is WPTDDWFQYRCAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-24-18(23)14-6-9-20(10-7-14)17(22)12-21-8-4-5-15(21)16-11-13(2)19-25-16/h11,14-15H,3-10,12H2,1-2H3.
What are the key properties of ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 47053811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).