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

C19H22N4O4 — CID 53086555

IUPACethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NCc2ccccc2OCC)c2c(CC)noc2n1
InChIInChI=1S/C19H22N4O4/c1-4-13-15-16(20-11-12-9-7-8-10-14(12)25-5-2)21-17(19(24)26-6-3)22-18(15)27-23-13/h7-10H,4-6,11H2,1-3H3,(H,20,21,22)
InChIKeyUZUVWXGCRGVTIL-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.37
Rot. Bonds8

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

ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 53086555) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID53086555
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Nameethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NCc2ccccc2OCC)c2c(CC)noc2n1
InChIInChI=1S/C19H22N4O4/c1-4-13-15-16(20-11-12-9-7-8-10-14(12)25-5-2)21-17(19(24)26-6-3)22-18(15)27-23-13/h7-10H,4-6,11H2,1-3H3,(H,20,21,22)
InChIKeyUZUVWXGCRGVTIL-UHFFFAOYSA-N
XLogP3.37
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 53086555) is ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(NCc2ccccc2OCC)c2c(CC)noc2n1.
What is the InChIKey of ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is UZUVWXGCRGVTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-4-13-15-16(20-11-12-9-7-8-10-14(12)25-5-2)21-17(19(24)26-6-3)22-18(15)27-23-13/h7-10H,4-6,11H2,1-3H3,(H,20,21,22).
What are the key properties of ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-ethoxyphenyl)methylamino]-3-ethyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 53086555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).