4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid

C14H22N2O3 — CID 62933423

IUPAC4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nnc(C2CCCCC2)o1
InChIInChI=1S/C14H22N2O3/c1-14(2,9-12(17)18)8-11-15-16-13(19-11)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyXLWOLJNRQVMCJZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.16
Rot. Bonds5

About 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid

4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid (PubChem CID 62933423) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid
PubChem CID62933423
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nnc(C2CCCCC2)o1
InChIInChI=1S/C14H22N2O3/c1-14(2,9-12(17)18)8-11-15-16-13(19-11)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyXLWOLJNRQVMCJZ-UHFFFAOYSA-N
XLogP3.16
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid (CID 62933423) is 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid is CC(C)(CC(=O)O)Cc1nnc(C2CCCCC2)o1.
What is the InChIKey of 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid?
The InChIKey is XLWOLJNRQVMCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-14(2,9-12(17)18)8-11-15-16-13(19-11)10-6-4-3-5-7-10/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid?
4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 62933423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).