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

C15H13FN4O3 — CID 20947932

IUPACethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(Nc3ccccc3F)c12
InChIInChI=1S/C15H13FN4O3/c1-3-22-15(21)12-11-13(17-8(2)18-14(11)23-20-12)19-10-7-5-4-6-9(10)16/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyMQVHWFCEPZMKFL-UHFFFAOYSA-N
MW316.29 g/mol
LogP2.99
Rot. Bonds4

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

ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 20947932) has the molecular formula C15H13FN4O3 and a molecular weight of 316.29 g/mol. Its IUPAC name is ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID20947932
Molecular FormulaC15H13FN4O3
Molecular Weight316.29 g/mol
Exact Mass316.10
IUPAC Nameethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(Nc3ccccc3F)c12
InChIInChI=1S/C15H13FN4O3/c1-3-22-15(21)12-11-13(17-8(2)18-14(11)23-20-12)19-10-7-5-4-6-9(10)16/h4-7H,3H2,1-2H3,(H,17,18,19)
InChIKeyMQVHWFCEPZMKFL-UHFFFAOYSA-N
XLogP2.99
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 20947932) is ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(Nc3ccccc3F)c12.
What is the InChIKey of ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is MQVHWFCEPZMKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O3/c1-3-22-15(21)12-11-13(17-8(2)18-14(11)23-20-12)19-10-7-5-4-6-9(10)16/h4-7H,3H2,1-2H3,(H,17,18,19).
What are the key properties of ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 316.29 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluoroanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 20947932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).