ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate

C15H18N2O3 — CID 170884921

IUPACethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c(-c2ccccc2)noc1C
InChIInChI=1S/C15H18N2O3/c1-3-19-15(18)13(16)9-12-10(2)20-17-14(12)11-7-5-4-6-8-11/h4-8,13H,3,9,16H2,1-2H3
InChIKeyMPIXBDSTUIKKJY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.08
Rot. Bonds5

About ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate

ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate (PubChem CID 170884921) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
PubChem CID170884921
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Nameethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate
SMILESCCOC(=O)C(N)Cc1c(-c2ccccc2)noc1C
InChIInChI=1S/C15H18N2O3/c1-3-19-15(18)13(16)9-12-10(2)20-17-14(12)11-7-5-4-6-8-11/h4-8,13H,3,9,16H2,1-2H3
InChIKeyMPIXBDSTUIKKJY-UHFFFAOYSA-N
XLogP2.08
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
ethyl 2-amino-3-(10-methylanthracen-9-yl)propanoate
CID 170885097
2-benzoyloxyethyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 42977015
ethyl (2S)-2-amino-3-phenylpropanoate;hypochlorous acid
CID 69027171
ethyl (2S)-2-amino-3-phenylpropanoate;hydron;chloride
CID 74764559
ethyl 2-amino-3-(4-methyl-2-phenylpyrimidin-5-yl)propanoate
CID 170884928
ethyl 2-amino-3-anthracen-9-ylpropanoate
CID 170884626
ethyl 2-amino-3-(10-chloroanthracen-9-yl)propanoate
CID 170885096
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917
ethyl (2R)-2-amino-3-[dimethyl(phenyl)silyl]propanoate
CID 102211729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate (CID 170884921) is ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate is CCOC(=O)C(N)Cc1c(-c2ccccc2)noc1C.
What is the InChIKey of ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate?
The InChIKey is MPIXBDSTUIKKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-19-15(18)13(16)9-12-10(2)20-17-14(12)11-7-5-4-6-8-11/h4-8,13H,3,9,16H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate?
ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate has a molecular weight of 274.32 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)propanoate is sourced from PubChem (CID 170884921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).