4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid

C13H20N2O3 — CID 143614785

IUPAC4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)c1nnc(C2(C)CCC(C(=O)O)CC2)o1
InChIInChI=1S/C13H20N2O3/c1-8(2)10-14-15-12(18-10)13(3)6-4-9(5-7-13)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQAVOFGYGNADCKT-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.73
Rot. Bonds3

About 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid

4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid (PubChem CID 143614785) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid
PubChem CID143614785
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid
SMILESCC(C)c1nnc(C2(C)CCC(C(=O)O)CC2)o1
InChIInChI=1S/C13H20N2O3/c1-8(2)10-14-15-12(18-10)13(3)6-4-9(5-7-13)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyQAVOFGYGNADCKT-UHFFFAOYSA-N
XLogP2.73
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid (CID 143614785) is 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid is CC(C)c1nnc(C2(C)CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid?
The InChIKey is QAVOFGYGNADCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8(2)10-14-15-12(18-10)13(3)6-4-9(5-7-13)11(16)17/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid?
4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 143614785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).