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

C16H16N4O3 — CID 45106913

IUPACethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N(CC)c3ccccc3)c12
InChIInChI=1S/C16H16N4O3/c1-3-20(11-8-6-5-7-9-11)14-12-13(16(21)22-4-2)19-23-15(12)18-10-17-14/h5-10H,3-4H2,1-2H3
InChIKeyABLGUXFKVLBWTJ-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.95
Rot. Bonds5

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

ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 45106913) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID45106913
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Nameethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2ncnc(N(CC)c3ccccc3)c12
InChIInChI=1S/C16H16N4O3/c1-3-20(11-8-6-5-7-9-11)14-12-13(16(21)22-4-2)19-23-15(12)18-10-17-14/h5-10H,3-4H2,1-2H3
InChIKeyABLGUXFKVLBWTJ-UHFFFAOYSA-N
XLogP2.95
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Ethyl 4-{[(2-methoxyphenyl)methyl]amino}-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027304
Ethyl 4-{[3-(trifluoromethyl)phenyl]amino}-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027274
Ethyl 4-[(2,4-difluorophenyl)amino]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 16027294
Ethyl 4-[4-(3-chlorophenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 16027306
Ethyl 4-[(3-methoxy-3-oxopropyl)(phenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027326
Ethyl 4-[4-(2-methoxyphenyl)piperazin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 16027300
Ethyl 4-{4-[3-(trifluoromethyl)phenyl]piperazin-1-YL}-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027308
Ethyl 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 16028736
Ethyl 4-[(3-fluoro-4-methylphenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027276
Ethyl 4-[(3-methoxyphenyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 16027296
Ethyl 4-[(2-phenylethyl)amino]-[1,2]oxazolo[5,4-D]pyrimidine-3-carboxylate
CID 20947898
PAT1inh-A0030
CID 46349766

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 45106913) is ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2ncnc(N(CC)c3ccccc3)c12.
What is the InChIKey of ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is ABLGUXFKVLBWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-3-20(11-8-6-5-7-9-11)14-12-13(16(21)22-4-2)19-23-15(12)18-10-17-14/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(N-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 45106913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).