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

C14H14N2O5 — CID 13172203

IUPACethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C14H14N2O5/c1-3-20-14(18)12(17)16-11-8-15-13(21-11)9-5-4-6-10(7-9)19-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWQDKECMFKLCSOJ-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.85
Rot. Bonds4

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

ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate (PubChem CID 13172203) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate
PubChem CID13172203
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1cnc(-c2cccc(OC)c2)o1
InChIInChI=1S/C14H14N2O5/c1-3-20-14(18)12(17)16-11-8-15-13(21-11)9-5-4-6-10(7-9)19-2/h4-8H,3H2,1-2H3,(H,16,17)
InChIKeyWQDKECMFKLCSOJ-UHFFFAOYSA-N
XLogP1.85
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.85
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

ethyl 2-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylamino]-2-oxoacetate
CID 110320032
ethyl 2-[(3-methoxy-7-oxocyclohepta-1,3,5-trien-1-yl)amino]-2-oxoacetate
CID 12557671
2-[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087128
ethyl N-[3,4-dihydroxy-5-(3-methoxyphenyl)furan-2-yl]carbamate
CID 90081283
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
ethyl 5-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46942091
ethyl 5-(3-methoxyphenyl)-1H-imidazole-2-carboxylate
CID 116883542
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
2-(3-methoxyphenyl)-5-(4-methoxyphenyl)-1,3-oxazole
CID 58157224
N-butan-2-yl-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 133150062
methyl 5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619027
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate (CID 13172203) is ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1cnc(-c2cccc(OC)c2)o1.
What is the InChIKey of ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate?
The InChIKey is WQDKECMFKLCSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-20-14(18)12(17)16-11-8-15-13(21-11)9-5-4-6-10(7-9)19-2/h4-8H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate?
ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate has a molecular weight of 290.28 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-methoxyphenyl)-1,3-oxazol-5-yl]amino]-2-oxoacetate is sourced from PubChem (CID 13172203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).