3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid

C15H19N3O3 — CID 119912223

IUPAC3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
SMILESCc1ccccc1-c1noc(C(C)N(C)CCC(=O)O)n1
InChIInChI=1S/C15H19N3O3/c1-10-6-4-5-7-12(10)14-16-15(21-17-14)11(2)18(3)9-8-13(19)20/h4-7,11H,8-9H2,1-3H3,(H,19,20)
InChIKeyQFRRAMXEKNOHFP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.51
Rot. Bonds6

About 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid

3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid (PubChem CID 119912223) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
PubChem CID119912223
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid
SMILESCc1ccccc1-c1noc(C(C)N(C)CCC(=O)O)n1
InChIInChI=1S/C15H19N3O3/c1-10-6-4-5-7-12(10)14-16-15(21-17-14)11(2)18(3)9-8-13(19)20/h4-7,11H,8-9H2,1-3H3,(H,19,20)
InChIKeyQFRRAMXEKNOHFP-UHFFFAOYSA-N
XLogP2.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl-methylamino]propanoic acid
CID 119911266
ethyl 3-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481020
2-methyl-N-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 131905398
(2R)-2-[(1R)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]sulfanylbutanamide
CID 97095296
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
CID 65063476
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347498
2-[methyl-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propan-1-ol
CID 112548713
5-(diethoxymethyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 63773018
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
2-(3-methyl-6-oxopyridazin-1-yl)-N-[(1S)-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 125443326
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
(1S)-2,2-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 93057373

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid (CID 119912223) is 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid is Cc1ccccc1-c1noc(C(C)N(C)CCC(=O)O)n1.
What is the InChIKey of 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid?
The InChIKey is QFRRAMXEKNOHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-6-4-5-7-12(10)14-16-15(21-17-14)11(2)18(3)9-8-13(19)20/h4-7,11H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid?
3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]propanoic acid is sourced from PubChem (CID 119912223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).