[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

C18H18N2O4 — CID 2488127

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3c(C)noc3C)c[nH]c12
InChIInChI=1S/C18H18N2O4/c1-4-12-6-5-7-13-14(8-19-17(12)13)15(21)9-23-18(22)16-10(2)20-24-11(16)3/h5-8,19H,4,9H2,1-3H3
InChIKeyMROOHJHIENCOFD-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.37
Rot. Bonds5

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (PubChem CID 2488127) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
PubChem CID2488127
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3c(C)noc3C)c[nH]c12
InChIInChI=1S/C18H18N2O4/c1-4-12-6-5-7-13-14(8-19-17(12)13)15(21)9-23-18(22)16-10(2)20-24-11(16)3/h5-8,19H,4,9H2,1-3H3
InChIKeyMROOHJHIENCOFD-UHFFFAOYSA-N
XLogP3.37
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate (CID 2488127) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is CCc1cccc2c(C(=O)COC(=O)c3c(C)noc3C)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
The InChIKey is MROOHJHIENCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-12-6-5-7-13-14(8-19-17(12)13)15(21)9-23-18(22)16-10(2)20-24-11(16)3/h5-8,19H,4,9H2,1-3H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2488127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).