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

C11H12N2O2 — CID 3082702

IUPAC4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one
SMILESCn1c(CCc2ccccc2)noc1=O
InChIInChI=1S/C11H12N2O2/c1-13-10(12-15-11(13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyBUCXEFZXWKUCCY-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.16
Rot. Bonds3

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

4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one (PubChem CID 3082702) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one
PubChem CID3082702
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one
SMILESCn1c(CCc2ccccc2)noc1=O
InChIInChI=1S/C11H12N2O2/c1-13-10(12-15-11(13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeyBUCXEFZXWKUCCY-UHFFFAOYSA-N
XLogP1.16
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one (CID 3082702) is 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one is Cn1c(CCc2ccccc2)noc1=O.
What is the InChIKey of 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one?
The InChIKey is BUCXEFZXWKUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-13-10(12-15-11(13)14)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one?
4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one has a molecular weight of 204.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-phenylethyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 3082702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).