5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one

C11H12N2O2 — CID 141330846

IUPAC5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCCc1ccccc1-c1nn(C)c(=O)o1
InChIInChI=1S/C11H12N2O2/c1-3-8-6-4-5-7-9(8)10-12-13(2)11(14)15-10/h4-7H,3H2,1-2H3
InChIKeyZRQHJNFIWRBRRB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.60
Rot. Bonds2

About 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one

5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 141330846) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
PubChem CID141330846
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
SMILESCCc1ccccc1-c1nn(C)c(=O)o1
InChIInChI=1S/C11H12N2O2/c1-3-8-6-4-5-7-9(8)10-12-13(2)11(14)15-10/h4-7H,3H2,1-2H3
InChIKeyZRQHJNFIWRBRRB-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethyl-3-phenylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 150315634
5-[3-[5-[2-(2,6-difluorophenyl)acetyl]thiophen-2-yl]-2-ethylphenyl]-3-methyl-1,3,4-oxadiazol-2-one
CID 162106420
5-(chloromethyl)-2-(2-ethylphenyl)-1,3-oxazole
CID 164658927
[2-(2-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine
CID 170752586
5-(2-ethylphenyl)-1-phenylimidazole
CID 160833005
3-(2-ethylphenyl)furan
CID 146186542
3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
2,3-diethylbiphenylene
CID 134993289
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660556
3-ethyl-1-methylindeno[2,1-d]pyrazol-4-one
CID 15194305
6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one
CID 161080139
1,2-diethylbenzene;hydrobromide
CID 174973685

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one (CID 141330846) is 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one is CCc1ccccc1-c1nn(C)c(=O)o1.
What is the InChIKey of 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
The InChIKey is ZRQHJNFIWRBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-8-6-4-5-7-9(8)10-12-13(2)11(14)15-10/h4-7H,3H2,1-2H3.
What are the key properties of 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one?
5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 141330846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).