[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

C19H23N3O6S — CID 8737251

IUPAC[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C19H23N3O6S/c1-13-18(14(2)28-21-13)29(25,26)20-12-16(23)27-17(15-8-4-3-5-9-15)19(24)22-10-6-7-11-22/h3-5,8-9,17,20H,6-7,10-12H2,1-2H3/t17-/m0/s1
InChIKeyROBCZVHJVNRXQH-KRWDZBQOSA-N
MW421.48 g/mol
LogP1.48
Rot. Bonds7

About [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (PubChem CID 8737251) has the molecular formula C19H23N3O6S and a molecular weight of 421.48 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
PubChem CID8737251
Molecular FormulaC19H23N3O6S
Molecular Weight421.48 g/mol
Exact Mass421.13
IUPAC Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C19H23N3O6S/c1-13-18(14(2)28-21-13)29(25,26)20-12-16(23)27-17(15-8-4-3-5-9-15)19(24)22-10-6-7-11-22/h3-5,8-9,17,20H,6-7,10-12H2,1-2H3/t17-/m0/s1
InChIKeyROBCZVHJVNRXQH-KRWDZBQOSA-N
XLogP1.48
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dimethyl-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 110347343
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate
CID 8737077
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110295756
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 93157673
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-phenyl-1-piperidin-1-ylethanone
CID 95139264
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 9032989
3,5-dimethyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,2-oxazole-4-sulfonamide
CID 40710414
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703317
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
3,5-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-1,2-oxazole-4-sulfonamide
CID 51089443

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate (CID 8737251) is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is Cc1noc(C)c1S(=O)(=O)NCC(=O)O[C@H](C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
The InChIKey is ROBCZVHJVNRXQH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O6S/c1-13-18(14(2)28-21-13)29(25,26)20-12-16(23)27-17(15-8-4-3-5-9-15)19(24)22-10-6-7-11-22/h3-5,8-9,17,20H,6-7,10-12H2,1-2H3/t17-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate?
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate has a molecular weight of 421.48 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetate is sourced from PubChem (CID 8737251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).