4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one

C15H16N2O2 — CID 55201043

IUPAC4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
SMILESO=C1CCC(c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C15H16N2O2/c18-13-8-6-12(7-9-13)15-16-14(17-19-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyIXAHVMUNFJCJGQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.89
Rot. Bonds3

About 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one

4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one (PubChem CID 55201043) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
PubChem CID55201043
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
SMILESO=C1CCC(c2nc(Cc3ccccc3)no2)CC1
InChIInChI=1S/C15H16N2O2/c18-13-8-6-12(7-9-13)15-16-14(17-19-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2
InChIKeyIXAHVMUNFJCJGQ-UHFFFAOYSA-N
XLogP2.89
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one?
The IUPAC name of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one (CID 55201043) is 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one?
The canonical SMILES for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one is O=C1CCC(c2nc(Cc3ccccc3)no2)CC1.
What is the InChIKey of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one?
The InChIKey is IXAHVMUNFJCJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-13-8-6-12(7-9-13)15-16-14(17-19-15)10-11-4-2-1-3-5-11/h1-5,12H,6-10H2.
What are the key properties of 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one?
4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one has a molecular weight of 256.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 55201043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).