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

C20H18N2O4 — CID 139229794

IUPACmethyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H18N2O4/c1-25-20(24)16(12-14-8-4-2-5-9-14)21-18(23)17-13-26-19(22-17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,23)
InChIKeyMWWAHRWJZOXFFJ-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.86
Rot. Bonds6

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

methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate (PubChem CID 139229794) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
PubChem CID139229794
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Namemethyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C20H18N2O4/c1-25-20(24)16(12-14-8-4-2-5-9-14)21-18(23)17-13-26-19(22-17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,23)
InChIKeyMWWAHRWJZOXFFJ-UHFFFAOYSA-N
XLogP2.86
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
methyl 2-[[2-(1-aminobutyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3541503
methyl 3-phenyl-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 3704822
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
methyl (2R)-2-[(2-methylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 99803493
methyl 3-phenyl-2-(1,3-thiazole-4-carbonylamino)propanoate
CID 63050089
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
methyl (2S)-2-[[5-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]carbamoyl]thiophene-2-carbonyl]amino]-3-phenylpropanoate
CID 139079472
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
benzyl 2-[[2-(1-amino-2-hydroxyethyl)-1,3-oxazole-4-carbonyl]amino]-3-phenylpropanoate
CID 3596071
methyl 3-(4-chlorophenyl)-2-[[2-(methylaminomethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 3682689
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate (CID 139229794) is methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is MWWAHRWJZOXFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-25-20(24)16(12-14-8-4-2-5-9-14)21-18(23)17-13-26-19(22-17)15-10-6-3-7-11-15/h2-11,13,16H,12H2,1H3,(H,21,23).
What are the key properties of methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate?
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 350.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 139229794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).