5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one

C10H8N2O3 — CID 166628528

IUPAC5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(/C=C/c2cccc(O)c2)o1
InChIInChI=1S/C10H8N2O3/c13-8-3-1-2-7(6-8)4-5-9-11-12-10(14)15-9/h1-6,13H,(H,12,14)/b5-4+
InChIKeyGCFFPSXJLAJUBR-SNAWJCMRSA-N
MW204.19 g/mol
LogP1.24
Rot. Bonds2

About 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one

5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 166628528) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID166628528
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Name5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(/C=C/c2cccc(O)c2)o1
InChIInChI=1S/C10H8N2O3/c13-8-3-1-2-7(6-8)4-5-9-11-12-10(14)15-9/h1-6,13H,(H,12,14)/b5-4+
InChIKeyGCFFPSXJLAJUBR-SNAWJCMRSA-N
XLogP1.24
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one (CID 166628528) is 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(/C=C/c2cccc(O)c2)o1.
What is the InChIKey of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GCFFPSXJLAJUBR-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H8N2O3/c13-8-3-1-2-7(6-8)4-5-9-11-12-10(14)15-9/h1-6,13H,(H,12,14)/b5-4+.
What are the key properties of 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 204.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(3-hydroxyphenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 166628528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).