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

C20H21N3O3 — CID 122120252

IUPAC2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
SMILESCC(CN(C)C(c1ccccc1)c1nc(-c2ccccc2)no1)C(=O)O
InChIInChI=1S/C20H21N3O3/c1-14(20(24)25)13-23(2)17(15-9-5-3-6-10-15)19-21-18(22-26-19)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,24,25)
InChIKeyWLIWTZYJEGSXFO-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.48
Rot. Bonds7

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

2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid (PubChem CID 122120252) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
PubChem CID122120252
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
SMILESCC(CN(C)C(c1ccccc1)c1nc(-c2ccccc2)no1)C(=O)O
InChIInChI=1S/C20H21N3O3/c1-14(20(24)25)13-23(2)17(15-9-5-3-6-10-15)19-21-18(22-26-19)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,24,25)
InChIKeyWLIWTZYJEGSXFO-UHFFFAOYSA-N
XLogP3.48
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic 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

N-methyl-N-(oxolan-3-ylmethyl)-1-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)methanamine
CID 71861088
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66264576
N-benzhydryl-N-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 46546217
2-methyl-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoic acid
CID 174569483
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345367
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
N-[4-(5-tert-butyl-1,2,4-oxadiazol-3-yl)phenyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 56583040
2,2-dimethyl-N-[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 7449710
3-(3-phenyl-1,2,4-oxadiazol-5-yl)butan-2-amine;hydrochloride
CID 120835072
1-[5-[[ethyl(methyl)amino]-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid (CID 122120252) is 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid is CC(CN(C)C(c1ccccc1)c1nc(-c2ccccc2)no1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
The InChIKey is WLIWTZYJEGSXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(20(24)25)13-23(2)17(15-9-5-3-6-10-15)19-21-18(22-26-19)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid?
2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid has a molecular weight of 351.41 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[phenyl-(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 122120252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).