6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione

C13H12N4O4S — CID 18130562

IUPAC6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CSc2nnc(-c3ccco3)o2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12N4O4S/c1-16-8(6-10(18)17(2)13(16)19)7-22-12-15-14-11(21-12)9-4-3-5-20-9/h3-6H,7H2,1-2H3
InChIKeySEBJZTBQFFUSNI-UHFFFAOYSA-N
MW320.33 g/mol
LogP1.02
Rot. Bonds4

About 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione

6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 18130562) has the molecular formula C13H12N4O4S and a molecular weight of 320.33 g/mol. Its IUPAC name is 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID18130562
Molecular FormulaC13H12N4O4S
Molecular Weight320.33 g/mol
Exact Mass320.06
IUPAC Name6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CSc2nnc(-c3ccco3)o2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12N4O4S/c1-16-8(6-10(18)17(2)13(16)19)7-22-12-15-14-11(21-12)9-4-3-5-20-9/h3-6H,7H2,1-2H3
InChIKeySEBJZTBQFFUSNI-UHFFFAOYSA-N
XLogP1.02
TPSA96.06 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

2-(3,5-dimethoxyphenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 7683396
2-(furan-2-yl)-5-[[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-3,4-dimethylphenyl]methylsulfanyl]-1,3,4-oxadiazole
CID 51066084
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(5-methylfuran-2-yl)ethanone
CID 676148
S-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]] N,N-diethylcarbamothioate
CID 5227526
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
CID 829031
2-(furan-2-yl)-5-(oxiran-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 134066521
2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 8851381
4-tert-butyl-N-[2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 7374199
2-[[2-(2,4-dimethylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 46552334
2-(3a,7a-dihydro-1H-benzimidazol-2-ylmethylsulfanyl)-5-(furan-2-yl)-1,3,4-oxadiazole
CID 71068243
1-(2,4-dihydroxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 2084970
2-(furan-2-yl)-5-(phenanthridin-6-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 18197019

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione (CID 18130562) is 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CSc2nnc(-c3ccco3)o2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is SEBJZTBQFFUSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4S/c1-16-8(6-10(18)17(2)13(16)19)7-22-12-15-14-11(21-12)9-4-3-5-20-9/h3-6H,7H2,1-2H3.
What are the key properties of 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 320.33 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18130562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).