ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate

C14H12N2O3 — CID 168876067

IUPACethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3[nH]ccc3c2)on1
InChIInChI=1S/C14H12N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-3-4-11-9(7-10)5-6-15-11/h3-8,15H,2H2,1H3
InChIKeyUROFHVCLNFVVMA-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.00
Rot. Bonds3

About ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate

ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate (PubChem CID 168876067) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
PubChem CID168876067
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Nameethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3[nH]ccc3c2)on1
InChIInChI=1S/C14H12N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-3-4-11-9(7-10)5-6-15-11/h3-8,15H,2H2,1H3
InChIKeyUROFHVCLNFVVMA-UHFFFAOYSA-N
XLogP3.00
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylate;5-(1H-indazol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 158537593
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
methyl 5-(4-ethoxycarbonylphenyl)-1,2-oxazole-3-carboxylate
CID 86222844
5-(1H-indol-5-yl)-3-(4-methoxyphenyl)-1,2-oxazole
CID 71460051
ethyl 5-[4-methoxy-3-(methylsulfamoyl)phenyl]-1,2-oxazole-3-carboxylate
CID 20941019
diethyl 4-(1H-indol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 50901650
ethyl 5-(1-benzofuran-2-yl)-1,2-oxazole-3-carboxylate
CID 154791615
ethyl 2-[2-(1H-indol-5-yloxy)propanoyloxymethyl]benzoate
CID 70102427
ethyl 2-amino-4-(2-ethoxy-2-oxoethyl)-6-(1H-indol-5-yl)-4H-chromene-3-carboxylate
CID 25069693
ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxyphenyl]-1,2-oxazole-3-carboxylate
CID 44818827
ethyl 5-[4-[(4-chlorophenyl)methoxy]-3-nitrophenyl]-1,2-oxazole-3-carboxylate
CID 44546988

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate (CID 168876067) is ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc3[nH]ccc3c2)on1.
What is the InChIKey of ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is UROFHVCLNFVVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-18-14(17)12-8-13(19-16-12)10-3-4-11-9(7-10)5-6-15-11/h3-8,15H,2H2,1H3.
What are the key properties of ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate?
ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 256.26 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(1H-indol-5-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 168876067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).