methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate

C17H23N3O3 — CID 126828235

IUPACmethyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(CNC(C)C(c2ccccc2)N(C)C)on1
InChIInChI=1S/C17H23N3O3/c1-12(16(20(2)3)13-8-6-5-7-9-13)18-11-14-10-15(19-23-14)17(21)22-4/h5-10,12,16,18H,11H2,1-4H3
InChIKeyNDHWZZMMZAMSEF-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.24
Rot. Bonds7

About methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate

methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate (PubChem CID 126828235) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate
PubChem CID126828235
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Namemethyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate
SMILESCOC(=O)c1cc(CNC(C)C(c2ccccc2)N(C)C)on1
InChIInChI=1S/C17H23N3O3/c1-12(16(20(2)3)13-8-6-5-7-9-13)18-11-14-10-15(19-23-14)17(21)22-4/h5-10,12,16,18H,11H2,1-4H3
InChIKeyNDHWZZMMZAMSEF-UHFFFAOYSA-N
XLogP2.24
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate (CID 126828235) is methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate is COC(=O)c1cc(CNC(C)C(c2ccccc2)N(C)C)on1.
What is the InChIKey of methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate?
The InChIKey is NDHWZZMMZAMSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(16(20(2)3)13-8-6-5-7-9-13)18-11-14-10-15(19-23-14)17(21)22-4/h5-10,12,16,18H,11H2,1-4H3.
What are the key properties of methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate?
methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 126828235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).