ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C16H20N4O5 — CID 22577815

IUPACethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(CC(=O)N3CCCCC3C)c(=O)c12
InChIInChI=1S/C16H20N4O5/c1-3-24-16(23)13-12-14(25-18-13)17-9-19(15(12)22)8-11(21)20-7-5-4-6-10(20)2/h9-10H,3-8H2,1-2H3
InChIKeyMSSXXGFFDUVMEU-UHFFFAOYSA-N
MW348.36 g/mol
LogP0.96
Rot. Bonds4

About ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 22577815) has the molecular formula C16H20N4O5 and a molecular weight of 348.36 g/mol. Its IUPAC name is ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID22577815
Molecular FormulaC16H20N4O5
Molecular Weight348.36 g/mol
Exact Mass348.14
IUPAC Nameethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncn(CC(=O)N3CCCCC3C)c(=O)c12
InChIInChI=1S/C16H20N4O5/c1-3-24-16(23)13-12-14(25-18-13)17-9-19(15(12)22)8-11(21)20-7-5-4-6-10(20)2/h9-10H,3-8H2,1-2H3
InChIKeyMSSXXGFFDUVMEU-UHFFFAOYSA-N
XLogP0.96
TPSA107.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 22577815) is ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncn(CC(=O)N3CCCCC3C)c(=O)c12.
What is the InChIKey of ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is MSSXXGFFDUVMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O5/c1-3-24-16(23)13-12-14(25-18-13)17-9-19(15(12)22)8-11(21)20-7-5-4-6-10(20)2/h9-10H,3-8H2,1-2H3.
What are the key properties of ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 348.36 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 22577815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).