ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C18H18N4O6 — CID 46352859

IUPACethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccccc3OC)c(=O)c12
InChIInChI=1S/C18H18N4O6/c1-4-27-18(25)15-14-16(28-21-15)19-10(2)22(17(14)24)9-13(23)20-11-7-5-6-8-12(11)26-3/h5-8H,4,9H2,1-3H3,(H,20,23)
InChIKeyUAGKXDPYMQDVSC-UHFFFAOYSA-N
MW386.36 g/mol
LogP1.52
Rot. Bonds6

About ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46352859) has the molecular formula C18H18N4O6 and a molecular weight of 386.36 g/mol. Its IUPAC name is ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46352859
Molecular FormulaC18H18N4O6
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Nameethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccccc3OC)c(=O)c12
InChIInChI=1S/C18H18N4O6/c1-4-27-18(25)15-14-16(28-21-15)19-10(2)22(17(14)24)9-13(23)20-11-7-5-6-8-12(11)26-3/h5-8H,4,9H2,1-3H3,(H,20,23)
InChIKeyUAGKXDPYMQDVSC-UHFFFAOYSA-N
XLogP1.52
TPSA125.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-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

2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-(2-methoxyphenyl)acetamide
CID 53086688
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
ethyl 6-methyl-5-[2-[2-(4-methylphenyl)ethylamino]-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352897
ethyl 5-[2-(2-ethoxycarbonylanilino)-2-oxoethyl]-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352802
2-(3-ethyl-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53086832
N-(3-chloro-2-methylphenyl)-2-(3,6-dimethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086714
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
ethyl 2-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-1,1-dioxo-1,2,6-thiadiazine-4-carboxylate
CID 154883896
ethyl 5-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46352968
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 53031244
2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
N-(2-ethoxyphenyl)-2-[1-(2-methoxyphenyl)-5,7-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-3-yl]acetamide
CID 17250713

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46352859) is ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)n(CC(=O)Nc3ccccc3OC)c(=O)c12.
What is the InChIKey of ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is UAGKXDPYMQDVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O6/c1-4-27-18(25)15-14-16(28-21-15)19-10(2)22(17(14)24)9-13(23)20-11-7-5-6-8-12(11)26-3/h5-8H,4,9H2,1-3H3,(H,20,23).
What are the key properties of ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 386.36 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(2-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46352859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).