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

C23H20N2O4 — CID 7235331

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3c(-c4ccccc4)noc3C)c[nH]c12
InChIInChI=1S/C23H20N2O4/c1-3-15-10-7-11-17-18(12-24-21(15)17)19(26)13-28-23(27)20-14(2)29-25-22(20)16-8-5-4-6-9-16/h4-12,24H,3,13H2,1-2H3
InChIKeyACNRWRCPODRXCT-UHFFFAOYSA-N
MW388.42 g/mol
LogP4.73
Rot. Bonds6

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

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 7235331) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID7235331
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCCc1cccc2c(C(=O)COC(=O)c3c(-c4ccccc4)noc3C)c[nH]c12
InChIInChI=1S/C23H20N2O4/c1-3-15-10-7-11-17-18(12-24-21(15)17)19(26)13-28-23(27)20-14(2)29-25-22(20)16-8-5-4-6-9-16/h4-12,24H,3,13H2,1-2H3
InChIKeyACNRWRCPODRXCT-UHFFFAOYSA-N
XLogP4.73
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46826896
4-O-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 7239576
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dimethylbenzoate
CID 7765173
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 7649508
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 3-hydroxybenzoate
CID 7483516
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8002292
[2-(3-fluorophenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8676290
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-formylbenzoate
CID 7669451
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-carbamoylfuran-3-carboxylate
CID 166212387
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235300
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 4-nitrobenzoate
CID 7859423
[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660613

Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 7235331) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is CCc1cccc2c(C(=O)COC(=O)c3c(-c4ccccc4)noc3C)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is ACNRWRCPODRXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-3-15-10-7-11-17-18(12-24-21(15)17)19(26)13-28-23(27)20-14(2)29-25-22(20)16-8-5-4-6-9-16/h4-12,24H,3,13H2,1-2H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 388.42 g/mol, XLogP of 4.73, 6 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] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7235331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).