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

C16H16N4O3 — CID 53000485

IUPACethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccccc2C)c2c(C)noc2n1
InChIInChI=1S/C16H16N4O3/c1-4-22-16(21)14-18-13(12-10(3)20-23-15(12)19-14)17-11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyKJGWEKUTDKYGLZ-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.15
Rot. Bonds4

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

ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 53000485) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID53000485
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(Nc2ccccc2C)c2c(C)noc2n1
InChIInChI=1S/C16H16N4O3/c1-4-22-16(21)14-18-13(12-10(3)20-23-15(12)19-14)17-11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,17,18,19)
InChIKeyKJGWEKUTDKYGLZ-UHFFFAOYSA-N
XLogP3.15
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 53000485) is ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(Nc2ccccc2C)c2c(C)noc2n1.
What is the InChIKey of ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is KJGWEKUTDKYGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-4-22-16(21)14-18-13(12-10(3)20-23-15(12)19-14)17-11-8-6-5-7-9(11)2/h5-8H,4H2,1-3H3,(H,17,18,19).
What are the key properties of ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 53000485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).