4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one

C11H12N2O2 — CID 52848486

IUPAC4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
SMILESCCn1c(-c2ccccc2C)noc1=O
InChIInChI=1S/C11H12N2O2/c1-3-13-10(12-15-11(13)14)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKeyYAPVSOBUTMHQGA-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.83
Rot. Bonds2

About 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one

4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one (PubChem CID 52848486) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
PubChem CID52848486
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one
SMILESCCn1c(-c2ccccc2C)noc1=O
InChIInChI=1S/C11H12N2O2/c1-3-13-10(12-15-11(13)14)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKeyYAPVSOBUTMHQGA-UHFFFAOYSA-N
XLogP1.83
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Oxo-3-phenyl-[1,2,4]oxadiazol-4-yl)-butyronitrile
CID 645910
4-Benzyl-3-[12-(4-benzyl-5-oxo-1,2,4-oxadiazol-3-yl)dodecyl]-1,2,4-oxadiazol-5-one
CID 45484659
3-(2-Phenylethyl)-4-methylsydnone
CID 3082702
4-Methyl-3-phenyl-1,2,4-oxadiazol-5-one
CID 12266910
2-[[3-(4-Fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]methyl]benzonitrile
CID 1434977
4-Methyl-3-phenyl-1,2,4-thiadiazol-5-one
CID 12856415
3-(2-Fluorophenyl)-4-propan-2-yl-1,2,4-oxadiazol-5-one
CID 58578324
3-(2-Fluorophenyl)-4-methyl-1,2,4-oxadiazol-5-one
CID 117711144
3,4-Bis[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368867
3-(Cyclohexylmethyl)-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368968
3-[(4-Fluorophenyl)methyl]-4-(1-phenylethyl)-1,2,4-oxadiazol-5-one
CID 135368970
3-Benzyl-4-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-one
CID 135368975

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one (CID 52848486) is 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one is CCn1c(-c2ccccc2C)noc1=O.
What is the InChIKey of 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is YAPVSOBUTMHQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-13-10(12-15-11(13)14)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3.
What are the key properties of 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one?
4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 52848486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).