1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione

C14H18N4O5S — CID 146025477

IUPAC1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione
SMILESCC1(C)OCC(CSc2nnc(CCn3ccc(=O)[nH]c3=O)o2)O1
InChIInChI=1S/C14H18N4O5S/c1-14(2)21-7-9(23-14)8-24-13-17-16-11(22-13)4-6-18-5-3-10(19)15-12(18)20/h3,5,9H,4,6-8H2,1-2H3,(H,15,19,20)
InChIKeyZNOGUGZFDQOJAA-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.41
Rot. Bonds6

About 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione

1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione (PubChem CID 146025477) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione
PubChem CID146025477
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC Name1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione
SMILESCC1(C)OCC(CSc2nnc(CCn3ccc(=O)[nH]c3=O)o2)O1
InChIInChI=1S/C14H18N4O5S/c1-14(2)21-7-9(23-14)8-24-13-17-16-11(22-13)4-6-18-5-3-10(19)15-12(18)20/h3,5,9H,4,6-8H2,1-2H3,(H,15,19,20)
InChIKeyZNOGUGZFDQOJAA-UHFFFAOYSA-N
XLogP0.41
TPSA112.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

N-(4-chlorophenyl)-2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 25284400
1-[2-[5-[(4-oxo-3H-quinazolin-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione
CID 136643558
2-[[5-[2-(2,4-dioxopyrimidin-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25284388
1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-5-methylpyrimidine-2,4-dione
CID 712759
1-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
CID 63811231
(1S)-1-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]phenyl]ethanol
CID 70485072
1-(2-aminoethyl)pyrimidine-2,4-dione
CID 10964739
1-[2-(tert-butylamino)ethyl]pyrimidine-2,4-dione
CID 62563033
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
1-[3-[bis(chloromethyl)-methylsilyl]propyl]pyrimidine-2,4-dione
CID 10541882
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539
2-[[5-[2-(2,4-dioxo-1,3-diazinan-1-yl)ethyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxyphenyl)acetamide
CID 73344585

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione (CID 146025477) is 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione is CC1(C)OCC(CSc2nnc(CCn3ccc(=O)[nH]c3=O)o2)O1.
What is the InChIKey of 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione?
The InChIKey is ZNOGUGZFDQOJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-14(2)21-7-9(23-14)8-24-13-17-16-11(22-13)4-6-18-5-3-10(19)15-12(18)20/h3,5,9H,4,6-8H2,1-2H3,(H,15,19,20).
What are the key properties of 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione?
1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione has a molecular weight of 354.39 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 146025477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).