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

C10H16N2O5 — CID 116704876

IUPAC2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESCOC(c1noc(COCC(=O)O)n1)C(C)C
InChIInChI=1S/C10H16N2O5/c1-6(2)9(15-3)10-11-7(17-12-10)4-16-5-8(13)14/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyLINIRICFDNSLTN-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.01
Rot. Bonds7

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

2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (PubChem CID 116704876) has the molecular formula C10H16N2O5 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
PubChem CID116704876
Molecular FormulaC10H16N2O5
Molecular Weight244.25 g/mol
Exact Mass244.11
IUPAC Name2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
SMILESCOC(c1noc(COCC(=O)O)n1)C(C)C
InChIInChI=1S/C10H16N2O5/c1-6(2)9(15-3)10-11-7(17-12-10)4-16-5-8(13)14/h6,9H,4-5H2,1-3H3,(H,13,14)
InChIKeyLINIRICFDNSLTN-UHFFFAOYSA-N
XLogP1.01
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid with MolForge

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Related Compounds

2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
3-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116733802
3-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116732859
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 71755379
1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N,4-dimethylpentan-2-amine
CID 116733319
2-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61313488
5-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylpentan-1-amine
CID 116702991
4-[2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 116702947
3-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 116702813
2-[[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 65196514
4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 116733339

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The IUPAC name of 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid (CID 116704876) is 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is COC(c1noc(COCC(=O)O)n1)C(C)C.
What is the InChIKey of 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
The InChIKey is LINIRICFDNSLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5/c1-6(2)9(15-3)10-11-7(17-12-10)4-16-5-8(13)14/h6,9H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid?
2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid has a molecular weight of 244.25 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid is sourced from PubChem (CID 116704876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).