ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C23H21FN4O6 — CID 42297125

IUPACethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)CCc3ncc(-c4ccc(F)cc4)o3)nc(N)c12
InChIInChI=1S/C23H21FN4O6/c1-3-31-23(30)19-12(2)33-22-20(19)21(25)27-16(28-22)11-32-18(29)9-8-17-26-10-15(34-17)13-4-6-14(24)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3,(H2,25,27,28)
InChIKeyFEBJUIBLLYRXJL-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.76
Rot. Bonds8

About ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 42297125) has the molecular formula C23H21FN4O6 and a molecular weight of 468.44 g/mol. Its IUPAC name is ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID42297125
Molecular FormulaC23H21FN4O6
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Nameethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)CCc3ncc(-c4ccc(F)cc4)o3)nc(N)c12
InChIInChI=1S/C23H21FN4O6/c1-3-31-23(30)19-12(2)33-22-20(19)21(25)27-16(28-22)11-32-18(29)9-8-17-26-10-15(34-17)13-4-6-14(24)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3,(H2,25,27,28)
InChIKeyFEBJUIBLLYRXJL-UHFFFAOYSA-N
XLogP3.76
TPSA143.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 16592702
ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30823989
[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 36828821
ethyl 4-amino-6-methyl-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55509122
ethyl 4-amino-6-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 42020847
ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036376
(2-chloro-4-fluorophenyl)methyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490902
ethyl 4-amino-2-[(4-chloro-1H-pyrrole-2-carbonyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036602
ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 37178342
phenacyl 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490600
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24619168
[2-(2-methylanilino)-2-oxoethyl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 42490358

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 42297125) is ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)CCc3ncc(-c4ccc(F)cc4)o3)nc(N)c12.
What is the InChIKey of ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is FEBJUIBLLYRXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O6/c1-3-31-23(30)19-12(2)33-22-20(19)21(25)27-16(28-22)11-32-18(29)9-8-17-26-10-15(34-17)13-4-6-14(24)7-5-13/h4-7,10H,3,8-9,11H2,1-2H3,(H2,25,27,28).
What are the key properties of ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 468.44 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 42297125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).