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

C15H12F2N4O3 — CID 20947930

IUPACethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(Nc3ccc(F)cc3F)c12
InChIInChI=1S/C15H12F2N4O3/c1-3-23-15(22)12-11-13(18-7(2)19-14(11)24-21-12)20-10-5-4-8(16)6-9(10)17/h4-6H,3H2,1-2H3,(H,18,19,20)
InChIKeyFIHAXOWTXRBIQJ-UHFFFAOYSA-N
MW334.28 g/mol
LogP3.12
Rot. Bonds4

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

ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947930) has the molecular formula C15H12F2N4O3 and a molecular weight of 334.28 g/mol. Its IUPAC name is ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947930
Molecular FormulaC15H12F2N4O3
Molecular Weight334.28 g/mol
Exact Mass334.09
IUPAC Nameethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(Nc3ccc(F)cc3F)c12
InChIInChI=1S/C15H12F2N4O3/c1-3-23-15(22)12-11-13(18-7(2)19-14(11)24-21-12)20-10-5-4-8(16)6-9(10)17/h4-6H,3H2,1-2H3,(H,18,19,20)
InChIKeyFIHAXOWTXRBIQJ-UHFFFAOYSA-N
XLogP3.12
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947930) is ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(Nc3ccc(F)cc3F)c12.
What is the InChIKey of ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is FIHAXOWTXRBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O3/c1-3-23-15(22)12-11-13(18-7(2)19-14(11)24-21-12)20-10-5-4-8(16)6-9(10)17/h4-6H,3H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 334.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,4-difluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).