3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

C16H21N3O3 — CID 82319525

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCc1ccnc(N(Cc2c(C)noc2C)CC(C)C(=O)O)c1
InChIInChI=1S/C16H21N3O3/c1-10-5-6-17-15(7-10)19(8-11(2)16(20)21)9-14-12(3)18-22-13(14)4/h5-7,11H,8-9H2,1-4H3,(H,20,21)
InChIKeyIJGLDFHDIANFLR-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.72
Rot. Bonds6

About 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (PubChem CID 82319525) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
PubChem CID82319525
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
SMILESCc1ccnc(N(Cc2c(C)noc2C)CC(C)C(=O)O)c1
InChIInChI=1S/C16H21N3O3/c1-10-5-6-17-15(7-10)19(8-11(2)16(20)21)9-14-12(3)18-22-13(14)4/h5-7,11H,8-9H2,1-4H3,(H,20,21)
InChIKeyIJGLDFHDIANFLR-UHFFFAOYSA-N
XLogP2.72
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid with MolForge

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Related Compounds

3-[2-carboxyethyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82319483
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-propan-2-ylamino]-2-methylpropanoic acid
CID 82329705
2-methyl-3-[2-methylpropanoyl-(4-methyl-2-pyridinyl)amino]propanoic acid
CID 82321055
2-methyl-3-[(4-methyl-2-pyridinyl)-methylsulfonylamino]propanoic acid
CID 82321956
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2-methylpropanoic acid
CID 82310280
3-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylanilino]propanoic acid
CID 82319513
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoic acid
CID 92845870
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 17417848
2-methyl-3-[(4-methyl-2-pyridinyl)-(oxolane-2-carbonyl)amino]propanoic acid
CID 82321471
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(2,5-dimethylphenyl)propanoic acid
CID 82140292
3-[carboxymethyl-(5-methyl-1,2-oxazol-3-yl)amino]-2-methylpropanoic acid
CID 82317133
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]propanoic acid
CID 104875222

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid (CID 82319525) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is Cc1ccnc(N(Cc2c(C)noc2C)CC(C)C(=O)O)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
The InChIKey is IJGLDFHDIANFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10-5-6-17-15(7-10)19(8-11(2)16(20)21)9-14-12(3)18-22-13(14)4/h5-7,11H,8-9H2,1-4H3,(H,20,21).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid has a molecular weight of 303.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-(4-methyl-2-pyridinyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82319525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).