ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate

C16H15N3O4 — CID 86777733

IUPACethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccon2)c2nc(C)ccc2c1=O
InChIInChI=1S/C16H15N3O4/c1-3-22-16(21)13-9-19(8-11-6-7-23-18-11)15-12(14(13)20)5-4-10(2)17-15/h4-7,9H,3,8H2,1-2H3
InChIKeyIEWUYRLZJWYZTN-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.92
Rot. Bonds4

About ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate

ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 86777733) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID86777733
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Nameethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccon2)c2nc(C)ccc2c1=O
InChIInChI=1S/C16H15N3O4/c1-3-22-16(21)13-9-19(8-11-6-7-23-18-11)15-12(14(13)20)5-4-10(2)17-15/h4-7,9H,3,8H2,1-2H3
InChIKeyIEWUYRLZJWYZTN-UHFFFAOYSA-N
XLogP1.92
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
ethyl 1-[(4-chlorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 50790358
ethyl 7-methyl-1-[(2-methylpyrazol-3-yl)methyl]-4-oxo-1,8-naphthyridine-3-carboxylate
CID 75471596
ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940935
ethyl 1-[(2-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940937
ethyl 1,7-dimethyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 600067
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
ethyl 1-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940917
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5131244
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731
ethyl 1-[2-(2-chloroanilino)-2-oxoethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940891

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate (CID 86777733) is ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1cn(Cc2ccon2)c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is IEWUYRLZJWYZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-3-22-16(21)13-9-19(8-11-6-7-23-18-11)15-12(14(13)20)5-4-10(2)17-15/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-1-(1,2-oxazol-3-ylmethyl)-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 86777733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).