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

C16H16N4O3 — CID 46340159

IUPACethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(Nc3ccccc3CC)c12
InChIInChI=1S/C16H16N4O3/c1-3-10-7-5-6-8-11(10)19-14-12-13(16(21)22-4-2)20-23-15(12)18-9-17-14/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeySKLVHKZUPYHXGM-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.10
Rot. Bonds5

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

ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46340159) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46340159
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(Nc3ccccc3CC)c12
InChIInChI=1S/C16H16N4O3/c1-3-10-7-5-6-8-11(10)19-14-12-13(16(21)22-4-2)20-23-15(12)18-9-17-14/h5-9H,3-4H2,1-2H3,(H,17,18,19)
InChIKeySKLVHKZUPYHXGM-UHFFFAOYSA-N
XLogP3.10
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340158
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 4-[(2,5-dimethoxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340157
ethyl 4-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947892
ethyl 4-[(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzoate
CID 52998633
ethyl 4-(2-ethoxyanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924864
ethyl 4-[4-(furan-2-yl)butan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947894
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947944
ethyl 4-[1-(1-adamantyl)propan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340180
ethyl 2-[[5-amino-6-(ethylamino)pyrimidin-4-yl]amino]benzoate
CID 19135337

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46340159) is ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(Nc3ccccc3CC)c12.
What is the InChIKey of ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is SKLVHKZUPYHXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-10-7-5-6-8-11(10)19-14-12-13(16(21)22-4-2)20-23-15(12)18-9-17-14/h5-9H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46340159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).