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

C22H18N2O4 — CID 2105037

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H18N2O4/c1-13-19(16-10-6-7-11-17(16)23-13)18(25)12-27-22(26)20-14(2)28-24-21(20)15-8-4-3-5-9-15/h3-11,23H,12H2,1-2H3
InChIKeyGVRGOONJGSYBJM-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.48
Rot. Bonds5

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

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (PubChem CID 2105037) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
PubChem CID2105037
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C22H18N2O4/c1-13-19(16-10-6-7-11-17(16)23-13)18(25)12-27-22(26)20-14(2)28-24-21(20)15-8-4-3-5-9-15/h3-11,23H,12H2,1-2H3
InChIKeyGVRGOONJGSYBJM-UHFFFAOYSA-N
XLogP4.48
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate (CID 2105037) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
The InChIKey is GVRGOONJGSYBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-13-19(16-10-6-7-11-17(16)23-13)18(25)12-27-22(26)20-14(2)28-24-21(20)15-8-4-3-5-9-15/h3-11,23H,12H2,1-2H3.
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 2105037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).