ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate

C15H16N2O5 — CID 57212468

IUPACethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate
SMILESCCOC(=O)C(N)(C=O)c1ccc(-c2cnco2)c(OC)c1
InChIInChI=1S/C15H16N2O5/c1-3-21-14(19)15(16,8-18)10-4-5-11(12(6-10)20-2)13-7-17-9-22-13/h4-9H,3,16H2,1-2H3
InChIKeyXDWZTXMBAIASCG-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.27
Rot. Bonds6

About ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate

ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate (PubChem CID 57212468) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate
PubChem CID57212468
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Nameethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate
SMILESCCOC(=O)C(N)(C=O)c1ccc(-c2cnco2)c(OC)c1
InChIInChI=1S/C15H16N2O5/c1-3-21-14(19)15(16,8-18)10-4-5-11(12(6-10)20-2)13-7-17-9-22-13/h4-9H,3,16H2,1-2H3
InChIKeyXDWZTXMBAIASCG-UHFFFAOYSA-N
XLogP1.27
TPSA104.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-(1,3-oxazol-5-yl)benzoic acid
CID 23577995
ethane;5-(2-methoxy-4-methylphenyl)-1,3-oxazole
CID 143041662
2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-methyl-2-[(3-methylthiophen-2-yl)methylamino]pentanamide
CID 141435391
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-methyl-3-phenylbutanamide
CID 90177469
methyl 3-[(Z)-3-ethoxy-1-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-3-oxoprop-1-enyl]benzoate
CID 20814234
N-[5-methoxy-2-methyl-4-(1,3-oxazol-5-yl)phenyl]acetamide
CID 123287218
ethyl 4-[2-[[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-2-oxoacetyl]amino]-2-methylpropanoyl]piperazine-1-carboxylate
CID 67047114
2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide
CID 67046681
N'-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-N-phenylpropanediamide
CID 10338010
1-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-[(4-methylphenyl)methyl]urea
CID 12051287
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67046782
(3-formamidophenyl)methylcarbamic acid;3-methoxy-N-methyl-4-(1,3-oxazol-5-yl)aniline
CID 142907047

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate?
The IUPAC name of ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate (CID 57212468) is ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate.
What is the SMILES notation for ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate?
The canonical SMILES for ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate is CCOC(=O)C(N)(C=O)c1ccc(-c2cnco2)c(OC)c1.
What is the InChIKey of ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate?
The InChIKey is XDWZTXMBAIASCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-3-21-14(19)15(16,8-18)10-4-5-11(12(6-10)20-2)13-7-17-9-22-13/h4-9H,3,16H2,1-2H3.
What are the key properties of ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate?
ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate has a molecular weight of 304.30 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-3-oxopropanoate is sourced from PubChem (CID 57212468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).