4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one

C14H14N2O2 — CID 142618684

IUPAC4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(-c3nnco3)cc2)CC1
InChIInChI=1S/C14H14N2O2/c17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-16-15-9-18-14/h1-4,9,11H,5-8H2
InChIKeyUWXLLCJTFINNFL-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.96
Rot. Bonds2

About 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one

4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one (PubChem CID 142618684) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one
PubChem CID142618684
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one
SMILESO=C1CCC(c2ccc(-c3nnco3)cc2)CC1
InChIInChI=1S/C14H14N2O2/c17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-16-15-9-18-14/h1-4,9,11H,5-8H2
InChIKeyUWXLLCJTFINNFL-UHFFFAOYSA-N
XLogP2.96
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one?
The IUPAC name of 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one (CID 142618684) is 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one is O=C1CCC(c2ccc(-c3nnco3)cc2)CC1.
What is the InChIKey of 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one?
The InChIKey is UWXLLCJTFINNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-7-5-11(6-8-13)10-1-3-12(4-2-10)14-16-15-9-18-14/h1-4,9,11H,5-8H2.
What are the key properties of 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one?
4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one has a molecular weight of 242.28 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexan-1-one is sourced from PubChem (CID 142618684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).