4-benzyl-3-methyl-1,2,4-oxadiazol-5-one

C10H10N2O2 — CID 15041338

IUPAC4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8-11-14-10(13)12(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyMDEFLFIXRVWZLQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.19
Rot. Bonds2

About 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one

4-benzyl-3-methyl-1,2,4-oxadiazol-5-one (PubChem CID 15041338) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
PubChem CID15041338
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name4-benzyl-3-methyl-1,2,4-oxadiazol-5-one
SMILESCc1noc(=O)n1Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8-11-14-10(13)12(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyMDEFLFIXRVWZLQ-UHFFFAOYSA-N
XLogP1.19
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one (CID 15041338) is 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one is Cc1noc(=O)n1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
The InChIKey is MDEFLFIXRVWZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8-11-14-10(13)12(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one?
4-benzyl-3-methyl-1,2,4-oxadiazol-5-one has a molecular weight of 190.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-methyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 15041338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).