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

C8H13N3O3 — CID 112631792

IUPAC5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(N)CCCc1nc(C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(9)3-2-4-6-10-7(8(12)13)11-14-6/h5H,2-4,9H2,1H3,(H,12,13)
InChIKeyPDBXJIUHUIHUPQ-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.44
Rot. Bonds5

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

5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631792) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631792
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(N)CCCc1nc(C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(9)3-2-4-6-10-7(8(12)13)11-14-6/h5H,2-4,9H2,1H3,(H,12,13)
InChIKeyPDBXJIUHUIHUPQ-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790082
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631943
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631921
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104685963
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82846767
5-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82847621
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845855
5-hexan-2-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 165484826

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112631792) is 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid is CC(N)CCCc1nc(C(=O)O)no1.
What is the InChIKey of 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is PDBXJIUHUIHUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(9)3-2-4-6-10-7(8(12)13)11-14-6/h5H,2-4,9H2,1H3,(H,12,13).
What are the key properties of 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).