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

C15H24N2O3 — CID 43471073

IUPAC2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1nc(C2CCCCC2)no1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-10(2)15(3,14(18)19)9-12-16-13(17-20-12)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyVCILYVDNNIBAFT-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.41
Rot. Bonds5

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

2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid (PubChem CID 43471073) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
PubChem CID43471073
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
SMILESCC(C)C(C)(Cc1nc(C2CCCCC2)no1)C(=O)O
InChIInChI=1S/C15H24N2O3/c1-10(2)15(3,14(18)19)9-12-16-13(17-20-12)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,18,19)
InChIKeyVCILYVDNNIBAFT-UHFFFAOYSA-N
XLogP3.41
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)propanoic acid
CID 60922559
1-[[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 61392812
2,3-Dimethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 61392824
2-Ethyl-2-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 61392836
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
CID 61392999
2-Ethyl-2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 79952976
1-[[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 79953533
2,3-Dimethyl-2-[[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 79953875
2-[3-(3,3,3-Trifluoropropyl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
CID 79955025
1-[[3-(Trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexane-1-carboxylic acid
CID 82008305
2-Ethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 82008477
2,3-Dimethyl-2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 82008478

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid (CID 43471073) is 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid is CC(C)C(C)(Cc1nc(C2CCCCC2)no1)C(=O)O.
What is the InChIKey of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
The InChIKey is VCILYVDNNIBAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-10(2)15(3,14(18)19)9-12-16-13(17-20-12)11-7-5-4-6-8-11/h10-11H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid?
2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid has a molecular weight of 280.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 43471073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).