3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione

C15H11ClN4O3 — CID 169129201

IUPAC3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1Cc1nc(/C=C/c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H11ClN4O3/c16-11-4-1-10(2-5-11)3-6-12-18-13(23-19-12)9-20-14(21)7-8-17-15(20)22/h1-8H,9H2,(H,17,22)/b6-3+
InChIKeyCFLJUJLOSMGCLR-ZZXKWVIFSA-N
MW330.73 g/mol
LogP1.79
Rot. Bonds4

About 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione

3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 169129201) has the molecular formula C15H11ClN4O3 and a molecular weight of 330.73 g/mol. Its IUPAC name is 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID169129201
Molecular FormulaC15H11ClN4O3
Molecular Weight330.73 g/mol
Exact Mass330.05
IUPAC Name3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1Cc1nc(/C=C/c2ccc(Cl)cc2)no1
InChIInChI=1S/C15H11ClN4O3/c16-11-4-1-10(2-5-11)3-6-12-18-13(23-19-12)9-20-14(21)7-8-17-15(20)22/h1-8H,9H2,(H,17,22)/b6-3+
InChIKeyCFLJUJLOSMGCLR-ZZXKWVIFSA-N
XLogP1.79
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione (CID 169129201) is 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1Cc1nc(/C=C/c2ccc(Cl)cc2)no1.
What is the InChIKey of 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is CFLJUJLOSMGCLR-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H11ClN4O3/c16-11-4-1-10(2-5-11)3-6-12-18-13(23-19-12)9-20-14(21)7-8-17-15(20)22/h1-8H,9H2,(H,17,22)/b6-3+.
What are the key properties of 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione?
3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 330.73 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(E)-2-(4-chlorophenyl)ethenyl]-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 169129201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).