3-phenyl-4H-1,2,4-oxadiazol-5-one

C8H6N2O2 — CID 135418577

IUPAC3-phenyl-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccccc2)no1
InChIInChI=1S/C8H6N2O2/c11-8-9-7(10-12-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11)
InChIKeyLMBDRBXGTCUBIH-UHFFFAOYSA-N
MW162.15 g/mol
LogP1.03
Rot. Bonds1

About 3-phenyl-4H-1,2,4-oxadiazol-5-one

3-phenyl-4H-1,2,4-oxadiazol-5-one (PubChem CID 135418577) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-phenyl-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-phenyl-4H-1,2,4-oxadiazol-5-one
PubChem CID135418577
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name3-phenyl-4H-1,2,4-oxadiazol-5-one
SMILESO=c1[nH]c(-c2ccccc2)no1
InChIInChI=1S/C8H6N2O2/c11-8-9-7(10-12-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11)
InChIKeyLMBDRBXGTCUBIH-UHFFFAOYSA-N
XLogP1.03
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-2,5-dihydro-1,2,4-oxadiazol-5-one
CID 135451985
3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-ol
CID 135480523
4-Amino-6-phenyl-s-triazine-2-ol
CID 135408760
3-(2-Chlorophenyl)-1,2,4-oxadiazol-5-ol
CID 135591017
(5-Hydroxy-1,2,4-oxadiazol-3-yl)(phenyl)methanone oxime
CID 135411400
3-Benzyl-1,2,4-oxadiazol-5(2H)-one
CID 135677617
3-(4-Bromophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 135741322
3-(4-Methylphenyl)-5-oxo-4,5-dihydro-1,2,4-thiadiazole
CID 135697429
3-(3-Methylphenyl)-4,5-dihydro-1,2,4-oxadiazol-5-one
CID 135839721
3-(3-Methylbenzyl)-1,2,4-oxadiazol-5(4H)-one
CID 136072239
3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-ol
CID 136160146
3-(2-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one
CID 135457094

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-phenyl-4H-1,2,4-oxadiazol-5-one (CID 135418577) is 3-phenyl-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-phenyl-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-phenyl-4H-1,2,4-oxadiazol-5-one is O=c1[nH]c(-c2ccccc2)no1.
What is the InChIKey of 3-phenyl-4H-1,2,4-oxadiazol-5-one?
The InChIKey is LMBDRBXGTCUBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-8-9-7(10-12-8)6-4-2-1-3-5-6/h1-5H,(H,9,10,11).
What are the key properties of 3-phenyl-4H-1,2,4-oxadiazol-5-one?
3-phenyl-4H-1,2,4-oxadiazol-5-one has a molecular weight of 162.15 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135418577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).