5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid

C11H19N3O3 — CID 112631943

IUPAC5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(C)C(CCN)CCc1nc(C(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-7(2)8(5-6-12)3-4-9-13-10(11(15)16)14-17-9/h7-8H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyYCWPEIHREIMLNW-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.32
Rot. Bonds7

About 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631943) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631943
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESCC(C)C(CCN)CCc1nc(C(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-7(2)8(5-6-12)3-4-9-13-10(11(15)16)14-17-9/h7-8H,3-6,12H2,1-2H3,(H,15,16)
InChIKeyYCWPEIHREIMLNW-UHFFFAOYSA-N
XLogP1.32
TPSA102.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631792
3-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-4-methylpentan-1-amine
CID 79405630
4-methyl-3-[2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65134138
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631921
3-[2-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentan-1-amine
CID 107924982
4-methyl-3-[2-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65129679
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
4-methyl-3-[2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196556
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104685963
4-methyl-3-[2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]pentan-1-amine
CID 65196345
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 112631943) is 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid is CC(C)C(CCN)CCc1nc(C(=O)O)no1.
What is the InChIKey of 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is YCWPEIHREIMLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-7(2)8(5-6-12)3-4-9-13-10(11(15)16)14-17-9/h7-8H,3-6,12H2,1-2H3,(H,15,16).
What are the key properties of 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-aminoethyl)-4-methylpentyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).