5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

C8H13N3O3 — CID 104685963

IUPAC5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(CCCN)c1nc(C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(3-2-4-9)7-10-6(8(12)13)11-14-7/h5H,2-4,9H2,1H3,(H,12,13)
InChIKeyZNDFLYAATCYWFP-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.61
Rot. Bonds5

About 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 104685963) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID104685963
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(CCCN)c1nc(C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(3-2-4-9)7-10-6(8(12)13)11-14-7/h5H,2-4,9H2,1H3,(H,12,13)
InChIKeyZNDFLYAATCYWFP-UHFFFAOYSA-N
XLogP0.61
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 104685963) is 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is CC(CCCN)c1nc(C(=O)O)no1.
What is the InChIKey of 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is ZNDFLYAATCYWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(3-2-4-9)7-10-6(8(12)13)11-14-7/h5H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 104685963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).