ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate

C16H18N2O5 — CID 110314824

IUPACethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H18N2O5/c1-3-22-16(20)15(19)17-8-7-12-10-14(23-18-12)11-5-4-6-13(9-11)21-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyXZMYHWAMMFWORI-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.57
Rot. Bonds6

About ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate

ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate (PubChem CID 110314824) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
PubChem CID110314824
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Nameethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCCc1cc(-c2cccc(OC)c2)on1
InChIInChI=1S/C16H18N2O5/c1-3-22-16(20)15(19)17-8-7-12-10-14(23-18-12)11-5-4-6-13(9-11)21-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,19)
InChIKeyXZMYHWAMMFWORI-UHFFFAOYSA-N
XLogP1.57
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-4-pyridin-3-ylbutanamide
CID 110634060
N-(3-acetamidopropyl)-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313759
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 110313446
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 50998515
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
CID 110314836

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate (CID 110314824) is ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate is CCOC(=O)C(=O)NCCc1cc(-c2cccc(OC)c2)on1.
What is the InChIKey of ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate?
The InChIKey is XZMYHWAMMFWORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-3-22-16(20)15(19)17-8-7-12-10-14(23-18-12)11-5-4-6-13(9-11)21-2/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,19).
What are the key properties of ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate?
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate has a molecular weight of 318.33 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate is sourced from PubChem (CID 110314824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).