2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

C11H15N5O3 — CID 43471086

IUPAC2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCC(C)C(C)(Cc1nc(-c2ncn[nH]2)no1)C(=O)O
InChIInChI=1S/C11H15N5O3/c1-6(2)11(3,10(17)18)4-7-14-9(16-19-7)8-12-5-13-15-8/h5-6H,4H2,1-3H3,(H,17,18)(H,12,13,15)
InChIKeyVUYCLIVOQSGWFT-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.14
Rot. Bonds5

About 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid

2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (PubChem CID 43471086) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
PubChem CID43471086
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
SMILESCC(C)C(C)(Cc1nc(-c2ncn[nH]2)no1)C(=O)O
InChIInChI=1S/C11H15N5O3/c1-6(2)11(3,10(17)18)4-7-14-9(16-19-7)8-12-5-13-15-8/h5-6H,4H2,1-3H3,(H,17,18)(H,12,13,15)
InChIKeyVUYCLIVOQSGWFT-UHFFFAOYSA-N
XLogP1.14
TPSA117.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid with MolForge

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Related Compounds

2-[[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]methyl]-2,3-dimethylbutanoic acid
CID 116799727
1-cyclopropyl-2-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63346839
2,3-dimethyl-2-[[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65195176
N-methyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63348232
1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 63346252
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79201269
N-[(1S)-3,3-dimethyl-1-phenylbutyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 52516909
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 43471044
2,3-dimethyl-2-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid
CID 65138451
4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 62924626
5-(2-phenylethyl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
CID 62944633
3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63346716

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The IUPAC name of 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid (CID 43471086) is 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is CC(C)C(C)(Cc1nc(-c2ncn[nH]2)no1)C(=O)O.
What is the InChIKey of 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
The InChIKey is VUYCLIVOQSGWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-6(2)11(3,10(17)18)4-7-14-9(16-19-7)8-12-5-13-15-8/h5-6H,4H2,1-3H3,(H,17,18)(H,12,13,15).
What are the key properties of 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid?
2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid has a molecular weight of 265.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]butanoic acid is sourced from PubChem (CID 43471086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).