methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate

C15H18N2O3 — CID 106372343

IUPACmethyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCc1ncc(C)o1)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-11-8-17-14(20-11)10-16-9-13(15(18)19-2)12-6-4-3-5-7-12/h3-8,13,16H,9-10H2,1-2H3
InChIKeyXAPQUKSEXZTDQE-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.03
Rot. Bonds6

About methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate

methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate (PubChem CID 106372343) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
PubChem CID106372343
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate
SMILESCOC(=O)C(CNCc1ncc(C)o1)c1ccccc1
InChIInChI=1S/C15H18N2O3/c1-11-8-17-14(20-11)10-16-9-13(15(18)19-2)12-6-4-3-5-7-12/h3-8,13,16H,9-10H2,1-2H3
InChIKeyXAPQUKSEXZTDQE-UHFFFAOYSA-N
XLogP2.03
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propanoic acid
CID 106373556
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanenitrile
CID 106372447
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylacetic acid
CID 106373563
methyl 3-[(2-methylpyrazol-3-yl)methylamino]-2-phenylpropanoate
CID 64560965
1-(2-methoxyphenoxy)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106372231
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-phenylmethanamine
CID 103738795
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
CID 65106276
methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-phenylpropanoate
CID 106401183
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]propane-1,2-diol
CID 106371905
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-phenylpropanoate
CID 106256464

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate (CID 106372343) is methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate is COC(=O)C(CNCc1ncc(C)o1)c1ccccc1.
What is the InChIKey of methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate?
The InChIKey is XAPQUKSEXZTDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-8-17-14(20-11)10-16-9-13(15(18)19-2)12-6-4-3-5-7-12/h3-8,13,16H,9-10H2,1-2H3.
What are the key properties of methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate?
methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate has a molecular weight of 274.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-phenylpropanoate is sourced from PubChem (CID 106372343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).