methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

C16H18ClN3O4 — CID 3682689

IUPACmethyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCNCc1nc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)OC)co1
InChIInChI=1S/C16H18ClN3O4/c1-18-8-14-19-13(9-24-14)15(21)20-12(16(22)23-2)7-10-3-5-11(17)6-4-10/h3-6,9,12,18H,7-8H2,1-2H3,(H,20,21)
InChIKeyWXCNYICBQRQYFF-UHFFFAOYSA-N
MW351.79 g/mol
LogP1.56
Rot. Bonds7

About methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate

methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (PubChem CID 3682689) has the molecular formula C16H18ClN3O4 and a molecular weight of 351.79 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
PubChem CID3682689
Molecular FormulaC16H18ClN3O4
Molecular Weight351.79 g/mol
Exact Mass351.10
IUPAC Namemethyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
SMILESCNCc1nc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)OC)co1
InChIInChI=1S/C16H18ClN3O4/c1-18-8-14-19-13(9-24-14)15(21)20-12(16(22)23-2)7-10-3-5-11(17)6-4-10/h3-6,9,12,18H,7-8H2,1-2H3,(H,20,21)
InChIKeyWXCNYICBQRQYFF-UHFFFAOYSA-N
XLogP1.56
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.79
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate (CID 3682689) is methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is CNCc1nc(C(=O)NC(Cc2ccc(Cl)cc2)C(=O)OC)co1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
The InChIKey is WXCNYICBQRQYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4/c1-18-8-14-19-13(9-24-14)15(21)20-12(16(22)23-2)7-10-3-5-11(17)6-4-10/h3-6,9,12,18H,7-8H2,1-2H3,(H,20,21).
What are the key properties of methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate?
methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate has a molecular weight of 351.79 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 3682689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).