2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone

C10H8N2O2 — CID 130707408

IUPAC2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone
SMILESO=C(Cc1ncno1)c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-9(6-10-11-7-12-14-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyAAIUNTIYHLTDIX-UHFFFAOYSA-N
MW188.19 g/mol
LogP1.50
Rot. Bonds3

About 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone

2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone (PubChem CID 130707408) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone
PubChem CID130707408
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone
SMILESO=C(Cc1ncno1)c1ccccc1
InChIInChI=1S/C10H8N2O2/c13-9(6-10-11-7-12-14-10)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyAAIUNTIYHLTDIX-UHFFFAOYSA-N
XLogP1.50
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2,4-oxadiazol-5-yl)acetamide
CID 54075435
3-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
CID 43307236
2-(4,5-dimethyl-1,3-oxazol-2-yl)-1-phenylethanone
CID 134858282
1-phenyl-2-pyridin-2-ylethanone;hydrochloride
CID 22758250
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
4-[N-(1,2,4-oxadiazol-5-ylmethyl)anilino]butanoic acid
CID 60838258
1,3-bis(5-phenacylfuran-2-yl)propan-2-one
CID 57381075
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 79089394
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carboxylic acid
CID 106400809
3-phenacyl-1,5-diphenylpentane-1,5-dione
CID 10547136

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone (CID 130707408) is 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone is O=C(Cc1ncno1)c1ccccc1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone?
The InChIKey is AAIUNTIYHLTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9(6-10-11-7-12-14-10)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone?
2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone has a molecular weight of 188.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)-1-phenylethanone is sourced from PubChem (CID 130707408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).