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

C15H19N3O3 — CID 62821769

IUPAC2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CN(C)C(C)(C)C(=O)O)no2)cc1
InChIInChI=1S/C15H19N3O3/c1-10-5-7-11(8-6-10)13-16-12(17-21-13)9-18(4)15(2,3)14(19)20/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyOJSFMYPAOIIRQP-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.34
Rot. Bonds5

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

2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid (PubChem CID 62821769) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
PubChem CID62821769
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CN(C)C(C)(C)C(=O)O)no2)cc1
InChIInChI=1S/C15H19N3O3/c1-10-5-7-11(8-6-10)13-16-12(17-21-13)9-18(4)15(2,3)14(19)20/h5-8H,9H2,1-4H3,(H,19,20)
InChIKeyOJSFMYPAOIIRQP-UHFFFAOYSA-N
XLogP2.34
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propan-2-ol
CID 79038116
2-[ethyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 62819926
2-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]-2-methylpropan-1-ol
CID 115640871
2-[tert-butyl-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
CID 79263003
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzamide
CID 53055634
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetic acid
CID 43442524
2-methyl-2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
CID 62821964
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
(2R)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 83194553
2-methyl-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
CID 62821268
N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-phenoxyacetamide
CID 53055635
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid (CID 62821769) is 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid is Cc1ccc(-c2nc(CN(C)C(C)(C)C(=O)O)no2)cc1.
What is the InChIKey of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid?
The InChIKey is OJSFMYPAOIIRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10-5-7-11(8-6-10)13-16-12(17-21-13)9-18(4)15(2,3)14(19)20/h5-8H,9H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid?
2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 62821769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).