3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid

C9H14N2O3 — CID 89112864

IUPAC3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESCCc1nnc(C(CC)CC(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-3-6(5-8(12)13)9-11-10-7(4-2)14-9/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyHZTCGWGPBCIKBB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.60
Rot. Bonds5

About 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid

3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid (PubChem CID 89112864) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid
PubChem CID89112864
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid
SMILESCCc1nnc(C(CC)CC(=O)O)o1
InChIInChI=1S/C9H14N2O3/c1-3-6(5-8(12)13)9-11-10-7(4-2)14-9/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyHZTCGWGPBCIKBB-UHFFFAOYSA-N
XLogP1.60
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The IUPAC name of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid (CID 89112864) is 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid.
What is the SMILES notation for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The canonical SMILES for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid is CCc1nnc(C(CC)CC(=O)O)o1.
What is the InChIKey of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
The InChIKey is HZTCGWGPBCIKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-6(5-8(12)13)9-11-10-7(4-2)14-9/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid?
3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1,3,4-oxadiazol-2-yl)pentanoic acid is sourced from PubChem (CID 89112864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).