5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid

C8H13N3O3 — CID 112631921

IUPAC5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(C)NCCc1nc(C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(2)9-4-3-6-10-7(8(12)13)11-14-6/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyXIXOEIGYVLAMPI-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.31
Rot. Bonds5

About 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631921) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631921
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(C)NCCc1nc(C(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(2)9-4-3-6-10-7(8(12)13)11-14-6/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyXIXOEIGYVLAMPI-UHFFFAOYSA-N
XLogP0.31
TPSA88.25 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 ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631792
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 18349096
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
5-(2-anilinoethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632052
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60835612
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
N-[2-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 116808047
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
CID 106414068
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631943
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
N,N-diethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 116806285

Frequently Asked Questions

What is the IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112631921) is 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid is CC(C)NCCc1nc(C(=O)O)no1.
What is the InChIKey of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is XIXOEIGYVLAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(2)9-4-3-6-10-7(8(12)13)11-14-6/h5,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).