ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate

C14H14N2O5 — CID 53301618

IUPACethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
SMILESCCOC(=O)C1=NOC2(C1)C(=O)Nc1ccc(OC)cc12
InChIInChI=1S/C14H14N2O5/c1-3-20-12(17)11-7-14(21-16-11)9-6-8(19-2)4-5-10(9)15-13(14)18/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyGZYAYYFYVKJYKO-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.18
Rot. Bonds3

About ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate

ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate (PubChem CID 53301618) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate.

Molecular Properties

Compound Nameethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
PubChem CID53301618
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Nameethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate
SMILESCCOC(=O)C1=NOC2(C1)C(=O)Nc1ccc(OC)cc12
InChIInChI=1S/C14H14N2O5/c1-3-20-12(17)11-7-14(21-16-11)9-6-8(19-2)4-5-10(9)15-13(14)18/h4-6H,3,7H2,1-2H3,(H,15,18)
InChIKeyGZYAYYFYVKJYKO-UHFFFAOYSA-N
XLogP1.18
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5,5-diphenyl-4H-1,2-oxazole-3-carboxylate
CID 6451155
ethyl (3S)-2'-amino-5-methoxy-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 7579488
ethyl 3-[1-[tert-butyl(dimethyl)silyl]propa-1,2-dienyl]-5-methoxy-2-oxo-1H-indole-3-carboxylate
CID 164685692
3-hydroxy-5-methoxy-3-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 3699611
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
ethyl 5-hydroxy-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 131845862
3-hydroxy-5-methoxy-3-(2-naphthalen-2-yl-2-oxoethyl)-1H-indol-2-one
CID 2976940
ethyl (6R)-6-hydroxy-5,5,6-trimethyl-4H-oxazine-3-carboxylate
CID 23241211
ethyl 2-oxo-5-(trifluoromethoxy)spiro[1H-indole-3,2'-cyclopropane]-1'-carboxylate
CID 71200919
ethyl (2R)-2-amino-5-methoxy-1,3-dihydroindene-2-carboxylate
CID 45112147
3-chloro-5-methoxy-3-methylsulfanyl-1H-indol-2-one
CID 24974230
diethyl 5-methoxy-3',4'-dimethyl-3-oxospiro[1H-indole-2,6'-cyclohex-3-ene]-1',1'-dicarboxylate
CID 23260513

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
The IUPAC name of ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate (CID 53301618) is ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate.
What is the SMILES notation for ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
The canonical SMILES for ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate is CCOC(=O)C1=NOC2(C1)C(=O)Nc1ccc(OC)cc12.
What is the InChIKey of ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
The InChIKey is GZYAYYFYVKJYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c1-3-20-12(17)11-7-14(21-16-11)9-6-8(19-2)4-5-10(9)15-13(14)18/h4-6H,3,7H2,1-2H3,(H,15,18).
What are the key properties of ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate?
ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methoxy-2-oxospiro[1H-indole-3,5'-4H-1,2-oxazole]-3'-carboxylate is sourced from PubChem (CID 53301618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).