1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

C15H16N2O2 — CID 55202009

IUPAC1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCc1ccccc1Cc1noc(CC(=O)C2CC2)n1
InChIInChI=1S/C15H16N2O2/c1-10-4-2-3-5-12(10)8-14-16-15(19-17-14)9-13(18)11-6-7-11/h2-5,11H,6-9H2,1H3
InChIKeyXMVGBYOSEFIQLE-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.49
Rot. Bonds5

About 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone

1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (PubChem CID 55202009) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
PubChem CID55202009
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
SMILESCc1ccccc1Cc1noc(CC(=O)C2CC2)n1
InChIInChI=1S/C15H16N2O2/c1-10-4-2-3-5-12(10)8-14-16-15(19-17-14)9-13(18)11-6-7-11/h2-5,11H,6-9H2,1H3
InChIKeyXMVGBYOSEFIQLE-UHFFFAOYSA-N
XLogP2.49
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The IUPAC name of 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone (CID 55202009) is 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is Cc1ccccc1Cc1noc(CC(=O)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
The InChIKey is XMVGBYOSEFIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-2-3-5-12(10)8-14-16-15(19-17-14)9-13(18)11-6-7-11/h2-5,11H,6-9H2,1H3.
What are the key properties of 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone?
1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanone is sourced from PubChem (CID 55202009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).