[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate

C21H18N2O4S — CID 94838240

IUPAC[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C21H18N2O4S/c1-11-17(14-7-4-5-8-15(14)22-11)19(24)13(3)27-21(25)18-12(2)26-20(23-18)16-9-6-10-28-16/h4-10,13,22H,1-3H3/t13-/m1/s1
InChIKeyJDNQCJQXFXZATN-CYBMUJFWSA-N
MW394.45 g/mol
LogP4.93
Rot. Bonds5

About [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate

[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (PubChem CID 94838240) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
PubChem CID94838240
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Name[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)oc1C
InChIInChI=1S/C21H18N2O4S/c1-11-17(14-7-4-5-8-15(14)22-11)19(24)13(3)27-21(25)18-12(2)26-20(23-18)16-9-6-10-28-16/h4-10,13,22H,1-3H3/t13-/m1/s1
InChIKeyJDNQCJQXFXZATN-CYBMUJFWSA-N
XLogP4.93
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-amino-3,5,6-trichloropyridine-2-carboxylate
CID 47006547
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1-benzofuran-2-carboxylate
CID 7210590
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 16506315
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] furan-2-carboxylate
CID 16540533
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate
CID 7736687
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 7477053
[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 18080330
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indole-3-carboxylate
CID 7517605
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-bromobenzoate
CID 7889689
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2-oxochromene-3-carboxylate
CID 7785609
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 4-(trifluoromethyl)benzoate
CID 7859918

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate (CID 94838240) is [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1nc(-c2cccs2)oc1C.
What is the InChIKey of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
The InChIKey is JDNQCJQXFXZATN-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N2O4S/c1-11-17(14-7-4-5-8-15(14)22-11)19(24)13(3)27-21(25)18-12(2)26-20(23-18)16-9-6-10-28-16/h4-10,13,22H,1-3H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate?
[(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate has a molecular weight of 394.45 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 5-methyl-2-thiophen-2-yl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 94838240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).