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

C15H14N4O3 — CID 46340158

IUPACethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(Nc3ccccc3C)c12
InChIInChI=1S/C15H14N4O3/c1-3-21-15(20)12-11-13(16-8-17-14(11)22-19-12)18-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyDHQBEGVFZGZIMB-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.85
Rot. Bonds4

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

ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46340158) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46340158
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Nameethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(Nc3ccccc3C)c12
InChIInChI=1S/C15H14N4O3/c1-3-21-15(20)12-11-13(16-8-17-14(11)22-19-12)18-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,16,17,18)
InChIKeyDHQBEGVFZGZIMB-UHFFFAOYSA-N
XLogP2.85
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340159
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
ethyl 2-[[5-amino-6-(2-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 19147874
ethyl 4-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947892
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 4-[(2,5-dimethoxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340157
ethyl 4-(4-benzylpiperazin-1-yl)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340131
ethyl 4-[(3-ethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]benzoate
CID 52998633
ethyl 4-(2,5-dimethylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924934
ethyl 5-(2-methylanilino)-3-phenyl-1,2,4-triazine-6-carboxylate
CID 20851112
ethyl 4-[1-(1-adamantyl)propan-2-ylamino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340180

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46340158) is ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(Nc3ccccc3C)c12.
What is the InChIKey of ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is DHQBEGVFZGZIMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-3-21-15(20)12-11-13(16-8-17-14(11)22-19-12)18-10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46340158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).