[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C16H14N2O4 — CID 2539615

IUPAC[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O4/c1-9-15(10(2)22-18-9)16(20)21-8-14(19)12-7-17-13-6-4-3-5-11(12)13/h3-7,17H,8H2,1-2H3
InChIKeyFTQGEOZOCMEWCA-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.81
Rot. Bonds4

About [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2539615) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2539615
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O4/c1-9-15(10(2)22-18-9)16(20)21-8-14(19)12-7-17-13-6-4-3-5-11(12)13/h3-7,17H,8H2,1-2H3
InChIKeyFTQGEOZOCMEWCA-UHFFFAOYSA-N
XLogP2.81
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-3-carboxylate
CID 2440838
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 6070797
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2103876
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(1H-indol-3-yl)butanoate
CID 2412841
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 2443440
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2488127
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 2516750
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2535682
[2-(1H-indol-3-yl)-2-oxoethyl] 3-nitrobenzoate
CID 2689569
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 4432931
[2-(1H-indol-3-yl)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 6255512
[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 24981820

Frequently Asked Questions

What is the IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2539615) is [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is Cc1noc(C)c1C(=O)OCC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is FTQGEOZOCMEWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-9-15(10(2)22-18-9)16(20)21-8-14(19)12-7-17-13-6-4-3-5-11(12)13/h3-7,17H,8H2,1-2H3.
What are the key properties of [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 298.30 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2539615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).