[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

C19H21N3O6S — CID 8614609

IUPAC[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O6S/c1-11-19(13(3)28-22-11)29(25,26)21-9-8-17(23)27-12(2)18(24)15-10-20-16-7-5-4-6-14(15)16/h4-7,10,12,20-21H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyOVEBIOJZWGODQH-LBPRGKRZSA-N
MW419.46 g/mol
LogP2.26
Rot. Bonds8

About [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate (PubChem CID 8614609) has the molecular formula C19H21N3O6S and a molecular weight of 419.46 g/mol. Its IUPAC name is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
PubChem CID8614609
Molecular FormulaC19H21N3O6S
Molecular Weight419.46 g/mol
Exact Mass419.12
IUPAC Name[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
SMILESCc1noc(C)c1S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C19H21N3O6S/c1-11-19(13(3)28-22-11)29(25,26)21-9-8-17(23)27-12(2)18(24)15-10-20-16-7-5-4-6-14(15)16/h4-7,10,12,20-21H,8-9H2,1-3H3/t12-/m0/s1
InChIKeyOVEBIOJZWGODQH-LBPRGKRZSA-N
XLogP2.26
TPSA131.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate with MolForge

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Related Compounds

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954111
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-oxo-4-(propylamino)butanoate
CID 95316821
[(2S)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate
CID 8614636
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 7827101
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7212497
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-(4-methylphenoxy)propanoate
CID 9139492
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 47009507
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(4-fluorophenyl)acetate
CID 8612958
[1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 42984043
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-methylphenyl)sulfanylacetate
CID 7555308
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800273

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?
The IUPAC name of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate (CID 8614609) is [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate.
What is the SMILES notation for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?
The canonical SMILES for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate is Cc1noc(C)c1S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?
The InChIKey is OVEBIOJZWGODQH-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H21N3O6S/c1-11-19(13(3)28-22-11)29(25,26)21-9-8-17(23)27-12(2)18(24)15-10-20-16-7-5-4-6-14(15)16/h4-7,10,12,20-21H,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate?
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate has a molecular weight of 419.46 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoate is sourced from PubChem (CID 8614609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).