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

C17H18N4O3 — CID 20947944

IUPACethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(Nc3ccc(CC)cc3)c12
InChIInChI=1S/C17H18N4O3/c1-4-11-6-8-12(9-7-11)20-15-13-14(17(22)23-5-2)21-24-16(13)19-10(3)18-15/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyABGXJGSZVAXUQE-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.41
Rot. Bonds5

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

ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947944) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947944
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(Nc3ccc(CC)cc3)c12
InChIInChI=1S/C17H18N4O3/c1-4-11-6-8-12(9-7-11)20-15-13-14(17(22)23-5-2)21-24-16(13)19-10(3)18-15/h6-9H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyABGXJGSZVAXUQE-UHFFFAOYSA-N
XLogP3.41
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947944) is ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(Nc3ccc(CC)cc3)c12.
What is the InChIKey of ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is ABGXJGSZVAXUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-11-6-8-12(9-7-11)20-15-13-14(17(22)23-5-2)21-24-16(13)19-10(3)18-15/h6-9H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).