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

C18H20N4O4 — CID 20947946

IUPACethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(N(C)c3cc(C)ccc3OC)c12
InChIInChI=1S/C18H20N4O4/c1-6-25-18(23)15-14-16(19-11(3)20-17(14)26-21-15)22(4)12-9-10(2)7-8-13(12)24-5/h7-9H,6H2,1-5H3
InChIKeyIARSMNCWPJBVCF-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.19
Rot. Bonds5

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

ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947946) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947946
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Nameethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(N(C)c3cc(C)ccc3OC)c12
InChIInChI=1S/C18H20N4O4/c1-6-25-18(23)15-14-16(19-11(3)20-17(14)26-21-15)22(4)12-9-10(2)7-8-13(12)24-5/h7-9H,6H2,1-5H3
InChIKeyIARSMNCWPJBVCF-UHFFFAOYSA-N
XLogP3.19
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947946) is ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(N(C)c3cc(C)ccc3OC)c12.
What is the InChIKey of ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is IARSMNCWPJBVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-6-25-18(23)15-14-16(19-11(3)20-17(14)26-21-15)22(4)12-9-10(2)7-8-13(12)24-5/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 356.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxy-N,5-dimethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).