ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C15H20N2O4 — CID 71561715

IUPACethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCCCn1cc(C(=O)OCC)c(=O)c2c(C)noc21
InChIInChI=1S/C15H20N2O4/c1-4-6-7-8-17-9-11(15(19)20-5-2)13(18)12-10(3)16-21-14(12)17/h9H,4-8H2,1-3H3
InChIKeyCIZZMMHYHFEJNS-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.66
Rot. Bonds6

About ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 71561715) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID71561715
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCCCCn1cc(C(=O)OCC)c(=O)c2c(C)noc21
InChIInChI=1S/C15H20N2O4/c1-4-6-7-8-17-9-11(15(19)20-5-2)13(18)12-10(3)16-21-14(12)17/h9H,4-8H2,1-3H3
InChIKeyCIZZMMHYHFEJNS-UHFFFAOYSA-N
XLogP2.66
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate 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 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 71561715) is ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CCCCCn1cc(C(=O)OCC)c(=O)c2c(C)noc21.
What is the InChIKey of ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is CIZZMMHYHFEJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-6-7-8-17-9-11(15(19)20-5-2)13(18)12-10(3)16-21-14(12)17/h9H,4-8H2,1-3H3.
What are the key properties of ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-oxo-7-pentyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 71561715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).