2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid

C11H15N5O3 — CID 107461534

IUPAC2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
SMILESCC(C)Cc1noc(Cn2cc(CC(=O)O)nn2)n1
InChIInChI=1S/C11H15N5O3/c1-7(2)3-9-12-10(19-14-9)6-16-5-8(13-15-16)4-11(17)18/h5,7H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyAKRYHGNVOBLCLU-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.54
Rot. Bonds6

About 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid

2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid (PubChem CID 107461534) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
PubChem CID107461534
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid
SMILESCC(C)Cc1noc(Cn2cc(CC(=O)O)nn2)n1
InChIInChI=1S/C11H15N5O3/c1-7(2)3-9-12-10(19-14-9)6-16-5-8(13-15-16)4-11(17)18/h5,7H,3-4,6H2,1-2H3,(H,17,18)
InChIKeyAKRYHGNVOBLCLU-UHFFFAOYSA-N
XLogP0.54
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-[[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methyl]acetamide
CID 114778448
2-[1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461289
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanol
CID 62399582
2-amino-3-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]propanoic acid
CID 116734975
[1-[[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 115458336
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-yl]acetic acid
CID 64618289
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319
2-[1-[(2-methyltetrazol-5-yl)methyl]triazol-4-yl]acetic acid
CID 107461559
5-[[4-(2-chloroethyl)triazol-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 62399895
N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methyl]ethanamine
CID 66194289
[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-yl]-phenylmethanol
CID 136569790

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid?
The IUPAC name of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid (CID 107461534) is 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid is CC(C)Cc1noc(Cn2cc(CC(=O)O)nn2)n1.
What is the InChIKey of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid?
The InChIKey is AKRYHGNVOBLCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7(2)3-9-12-10(19-14-9)6-16-5-8(13-15-16)4-11(17)18/h5,7H,3-4,6H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid?
2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]acetic acid is sourced from PubChem (CID 107461534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).