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

C15H18N2O3 — CID 62639418

IUPAC2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CN(C)C(C)C(=O)O)co2)cc1
InChIInChI=1S/C15H18N2O3/c1-10-4-6-12(7-5-10)14-16-13(9-20-14)8-17(3)11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyMUMYUTRYUHQQOA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.55
Rot. Bonds5

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

2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid (PubChem CID 62639418) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
PubChem CID62639418
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid
SMILESCc1ccc(-c2nc(CN(C)C(C)C(=O)O)co2)cc1
InChIInChI=1S/C15H18N2O3/c1-10-4-6-12(7-5-10)14-16-13(9-20-14)8-17(3)11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19)
InChIKeyMUMYUTRYUHQQOA-UHFFFAOYSA-N
XLogP2.55
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 62637791
1-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115084513
2-amino-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414264
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
N-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]prop-2-yn-1-amine
CID 56671957
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
2-[2,2-difluoroethyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]ethanol
CID 107485496
4-(bromomethyl)-2-(4-methylphenyl)-1,3-oxazole
CID 79021813
2-[methyl-[[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl]amino]propanoic acid
CID 119913071
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915157
3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]butan-2-ol
CID 103706114
N-methyl-N-[(2-methylphenyl)methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38036018

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid (CID 62639418) is 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid is Cc1ccc(-c2nc(CN(C)C(C)C(=O)O)co2)cc1.
What is the InChIKey of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid?
The InChIKey is MUMYUTRYUHQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-4-6-12(7-5-10)14-16-13(9-20-14)8-17(3)11(2)15(18)19/h4-7,9,11H,8H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid?
2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid has a molecular weight of 274.32 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]amino]propanoic acid is sourced from PubChem (CID 62639418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).