ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

C19H15BrN4O5 — CID 30835186

IUPACethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(Cc3nnc(-c4ccccc4Br)o3)c(=O)c12
InChIInChI=1S/C19H15BrN4O5/c1-3-27-19(26)14-10(2)28-17-15(14)18(25)24(9-21-17)8-13-22-23-16(29-13)11-6-4-5-7-12(11)20/h4-7,9H,3,8H2,1-2H3
InChIKeyVNAFKKYHOVUQRY-UHFFFAOYSA-N
MW459.26 g/mol
LogP3.34
Rot. Bonds5

About ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate

ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 30835186) has the molecular formula C19H15BrN4O5 and a molecular weight of 459.26 g/mol. Its IUPAC name is ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID30835186
Molecular FormulaC19H15BrN4O5
Molecular Weight459.26 g/mol
Exact Mass458.02
IUPAC Nameethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2ncn(Cc3nnc(-c4ccccc4Br)o3)c(=O)c12
InChIInChI=1S/C19H15BrN4O5/c1-3-27-19(26)14-10(2)28-17-15(14)18(25)24(9-21-17)8-13-22-23-16(29-13)11-6-4-5-7-12(11)20/h4-7,9H,3,8H2,1-2H3
InChIKeyVNAFKKYHOVUQRY-UHFFFAOYSA-N
XLogP3.34
TPSA113.25 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651206
3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 2091508
ethyl 6-methyl-3-[(2-nitrophenyl)methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651961
ethyl 3-[(3-cyanophenyl)methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652407
ethyl 6-methyl-4-oxo-3-[(E)-3-phenylprop-2-enyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 9381194
ethyl 3-(2-cyanoethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 35341972
ethyl 6-methyl-3-[2-(methylamino)-2-oxoethyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651847
ethyl 3-[2-[benzyl(ethyl)amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651678
ethyl 3-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8653277
ethyl 3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651264
ethyl 6-methyl-4-oxo-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 8978422
ethyl 3-[2-[(2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652437

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate (CID 30835186) is ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2ncn(Cc3nnc(-c4ccccc4Br)o3)c(=O)c12.
What is the InChIKey of ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is VNAFKKYHOVUQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O5/c1-3-27-19(26)14-10(2)28-17-15(14)18(25)24(9-21-17)8-13-22-23-16(29-13)11-6-4-5-7-12(11)20/h4-7,9H,3,8H2,1-2H3.
What are the key properties of ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 459.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 30835186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).