2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid

C11H10N2O3 — CID 21312937

IUPAC2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H10N2O3/c14-11(15)7-10-12-9(13-16-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyUOFCMZQYBMRUDL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.29
Rot. Bonds4

About 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid

2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid (PubChem CID 21312937) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid
PubChem CID21312937
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid
SMILESO=C(O)Cc1nc(Cc2ccccc2)no1
InChIInChI=1S/C11H10N2O3/c14-11(15)7-10-12-9(13-16-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyUOFCMZQYBMRUDL-UHFFFAOYSA-N
XLogP1.29
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid?
The IUPAC name of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid (CID 21312937) is 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid is O=C(O)Cc1nc(Cc2ccccc2)no1.
What is the InChIKey of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid?
The InChIKey is UOFCMZQYBMRUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11(15)7-10-12-9(13-16-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid?
2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-1,2,4-oxadiazol-5-yl)acetic acid is sourced from PubChem (CID 21312937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).