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

C11H16N2O4 — CID 62963809

IUPAC3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(CC(=O)O)Cc1nnc(C2CCCO2)o1
InChIInChI=1S/C11H16N2O4/c1-7(6-10(14)15)5-9-12-13-11(17-9)8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyPOOVDTUWZRCUAI-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.57
Rot. Bonds5

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

3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (PubChem CID 62963809) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
PubChem CID62963809
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
SMILESCC(CC(=O)O)Cc1nnc(C2CCCO2)o1
InChIInChI=1S/C11H16N2O4/c1-7(6-10(14)15)5-9-12-13-11(17-9)8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,14,15)
InChIKeyPOOVDTUWZRCUAI-UHFFFAOYSA-N
XLogP1.57
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The IUPAC name of 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid (CID 62963809) is 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid.
What is the SMILES notation for 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The canonical SMILES for 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is CC(CC(=O)O)Cc1nnc(C2CCCO2)o1.
What is the InChIKey of 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
The InChIKey is POOVDTUWZRCUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7(6-10(14)15)5-9-12-13-11(17-9)8-3-2-4-16-8/h7-8H,2-6H2,1H3,(H,14,15).
What are the key properties of 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid?
3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[5-(oxolan-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid is sourced from PubChem (CID 62963809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).