4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid

C11H18N2O3 — CID 63892563

IUPAC4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCC(C)(C)Cc1noc(CCCC(=O)O)n1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)7-8-12-9(16-13-8)5-4-6-10(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyOQZWYMAUJWWJFJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.07
Rot. Bonds5

About 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid

4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid (PubChem CID 63892563) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
PubChem CID63892563
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid
SMILESCC(C)(C)Cc1noc(CCCC(=O)O)n1
InChIInChI=1S/C11H18N2O3/c1-11(2,3)7-8-12-9(16-13-8)5-4-6-10(14)15/h4-7H2,1-3H3,(H,14,15)
InChIKeyOQZWYMAUJWWJFJ-UHFFFAOYSA-N
XLogP2.07
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65130840
5-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 63890830
5-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62596472
4-(3-bromo-1,2,4-oxadiazol-5-yl)butanoic acid
CID 82389565
4-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butanoic acid
CID 65139161
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 62691705
1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64671674
5-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 62502007
4-[3-[[(5-chloro-2-fluorophenyl)methyl-methylamino]methyl]-1,2,4-oxadiazol-5-yl]butanoic acid
CID 138004013
3-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62667403
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
CID 119206094

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The IUPAC name of 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid (CID 63892563) is 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid.
What is the SMILES notation for 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The canonical SMILES for 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid is CC(C)(C)Cc1noc(CCCC(=O)O)n1.
What is the InChIKey of 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
The InChIKey is OQZWYMAUJWWJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-11(2,3)7-8-12-9(16-13-8)5-4-6-10(14)15/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid?
4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]butanoic acid is sourced from PubChem (CID 63892563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).