(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol

C9H8N4O2 — CID 168984105

IUPAC(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol
SMILESCc1nc(/C(=C/O)c2cncnc2)no1
InChIInChI=1S/C9H8N4O2/c1-6-12-9(13-15-6)8(4-14)7-2-10-5-11-3-7/h2-5,14H,1H3/b8-4+
InChIKeyVRHJRQWPIURRRM-XBXARRHUSA-N
MW204.19 g/mol
LogP1.12
Rot. Bonds2

About (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol

(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol (PubChem CID 168984105) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol.

Molecular Properties

Compound Name(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol
PubChem CID168984105
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol
SMILESCc1nc(/C(=C/O)c2cncnc2)no1
InChIInChI=1S/C9H8N4O2/c1-6-12-9(13-15-6)8(4-14)7-2-10-5-11-3-7/h2-5,14H,1H3/b8-4+
InChIKeyVRHJRQWPIURRRM-XBXARRHUSA-N
XLogP1.12
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-methoxypyrimidin-5-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 56717350
5-Ethyl-N-[(5-isopropyl-1,2,4-oxadiazol-3-YL)methyl]-N-methylpyrimidin-2-amine
CID 72914035
5-Methyl-3-(2-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 59809281
5-Ethyl-3-pyrimidin-5-yl-1,2,4-oxadiazole
CID 142680153
5-(2-Methylpropyl)-3-pyrimidin-5-yl-1,2,4-oxadiazole
CID 153932198
1-[5-[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]propan-1-ol
CID 153974042
5-Methyl-3-(pyrimidin-5-ylmethyl)-1,2,4-oxadiazole
CID 168984156
3-[(E)-2-chloro-1-pyrimidin-5-ylethenyl]-5-methyl-1,2,4-oxadiazole
CID 168984244
3-(2-Methoxypyrimidin-5-yl)-5-methyl-1,2,4-oxadiazole
CID 169574948
3-(2-Chloro-1-pyrimidin-5-ylethenyl)-5-methyl-1,2,4-oxadiazole
CID 169779815
5-methyl-3-[(E)-1-pyrimidin-5-ylprop-1-enyl]-1,2,4-oxadiazole
CID 170223893
5-ethyl-N-[2-(5-isopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,2-dimethylpyrimidin-4-amine
CID 50973307

Frequently Asked Questions

What is the IUPAC name of (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol?
The IUPAC name of (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol (CID 168984105) is (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol.
What is the SMILES notation for (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol?
The canonical SMILES for (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol is Cc1nc(/C(=C/O)c2cncnc2)no1.
What is the InChIKey of (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol?
The InChIKey is VRHJRQWPIURRRM-XBXARRHUSA-N. The full InChI is InChI=1S/C9H8N4O2/c1-6-12-9(13-15-6)8(4-14)7-2-10-5-11-3-7/h2-5,14H,1H3/b8-4+.
What are the key properties of (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol?
(E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol has a molecular weight of 204.19 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyrimidin-5-ylethenol is sourced from PubChem (CID 168984105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).