[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

C23H23N3O6S — CID 26969472

IUPAC[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
SMILESCc1cc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c2ccccc2)no1
InChIInChI=1S/C23H23N3O6S/c1-14-11-18-13-17(9-10-19(18)26(14)33(3,29)30)23(28)31-21(16-7-5-4-6-8-16)22(27)24-20-12-15(2)32-25-20/h4-10,12-14,21H,11H2,1-3H3,(H,24,25,27)/t14-,21-/m0/s1
InChIKeyPMBWPHQBSMHZPL-QKKBWIMNSA-N
MW469.52 g/mol
LogP3.23
Rot. Bonds6

About [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate (PubChem CID 26969472) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Name[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
PubChem CID26969472
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC Name[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
SMILESCc1cc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c2ccccc2)no1
InChIInChI=1S/C23H23N3O6S/c1-14-11-18-13-17(9-10-19(18)26(14)33(3,29)30)23(28)31-21(16-7-5-4-6-8-16)22(27)24-20-12-15(2)32-25-20/h4-10,12-14,21H,11H2,1-3H3,(H,24,25,27)/t14-,21-/m0/s1
InChIKeyPMBWPHQBSMHZPL-QKKBWIMNSA-N
XLogP3.23
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 42922287
(2-oxo-1,2-diphenylethyl) 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 43019018
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55393380
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-iodobenzoate
CID 46644590
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-fluorobenzoate
CID 17415012
[(1R)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate
CID 27310592
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 3,5-difluorobenzoate
CID 46644893
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-methoxy-3-sulfamoylbenzoate
CID 24527471
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 9064306
(2-methylphenyl)methyl 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55472400
(4-benzamidophenyl) 2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55383877

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
The IUPAC name of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate (CID 26969472) is [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate is Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c2ccccc2)no1.
What is the InChIKey of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
The InChIKey is PMBWPHQBSMHZPL-QKKBWIMNSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-14-11-18-13-17(9-10-19(18)26(14)33(3,29)30)23(28)31-21(16-7-5-4-6-8-16)22(27)24-20-12-15(2)32-25-20/h4-10,12-14,21H,11H2,1-3H3,(H,24,25,27)/t14-,21-/m0/s1.
What are the key properties of [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate?
[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate has a molecular weight of 469.52 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] (2S)-2-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 26969472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).