4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid

C11H18N2O4 — CID 103022015

IUPAC4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
SMILESCOC(C)(C)c1nnc(CC(C)CC(=O)O)o1
InChIInChI=1S/C11H18N2O4/c1-7(6-9(14)15)5-8-12-13-10(17-8)11(2,3)16-4/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyGZBQSMFXJYLOJN-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.60
Rot. Bonds6

About 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid

4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid (PubChem CID 103022015) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
PubChem CID103022015
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
SMILESCOC(C)(C)c1nnc(CC(C)CC(=O)O)o1
InChIInChI=1S/C11H18N2O4/c1-7(6-9(14)15)5-8-12-13-10(17-8)11(2,3)16-4/h7H,5-6H2,1-4H3,(H,14,15)
InChIKeyGZBQSMFXJYLOJN-UHFFFAOYSA-N
XLogP1.60
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid?
The IUPAC name of 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid (CID 103022015) is 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid.
What is the SMILES notation for 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid?
The canonical SMILES for 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid is COC(C)(C)c1nnc(CC(C)CC(=O)O)o1.
What is the InChIKey of 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid?
The InChIKey is GZBQSMFXJYLOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7(6-9(14)15)5-8-12-13-10(17-8)11(2,3)16-4/h7H,5-6H2,1-4H3,(H,14,15).
What are the key properties of 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid?
4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid has a molecular weight of 242.27 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxypropan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid is sourced from PubChem (CID 103022015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).