(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one

C17H20N2O4S — CID 94029184

IUPAC(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCC1)S(=O)(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O4S/c1-13(17(20)19-9-5-6-10-19)24(21,22)12-15-11-23-16(18-15)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3/t13-/m1/s1
InChIKeyWZUAQMOAEVPCMN-CYBMUJFWSA-N
MW348.42 g/mol
LogP2.27
Rot. Bonds5

About (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one

(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 94029184) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID94029184
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC Name(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one
SMILESC[C@H](C(=O)N1CCCC1)S(=O)(=O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O4S/c1-13(17(20)19-9-5-6-10-19)24(21,22)12-15-11-23-16(18-15)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3/t13-/m1/s1
InChIKeyWZUAQMOAEVPCMN-CYBMUJFWSA-N
XLogP2.27
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
CID 55746214
N'-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111809380
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
(2R)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-methylpropanamide
CID 94025619
1-morpholin-4-yl-2-(2-phenyl-1,3-oxazol-4-yl)ethanone
CID 38549400
3-methyl-2-[(2-phenyl-1,3-oxazol-4-yl)methylamino]butanoic acid
CID 43468509
(2R)-1-(4-acetylpiperazin-1-yl)-2-[(2-benzyl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-one
CID 51947148
1-[3-(methylamino)piperidin-1-yl]-2-(2-phenyl-1,3-oxazol-4-yl)ethanone;hydrochloride
CID 119491676
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
N-(1-phenylethyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 51261759
2-(2-phenyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylcyclopentyl)acetamide
CID 167926329
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfonylbenzoic acid
CID 43117031

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one (CID 94029184) is (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one is C[C@H](C(=O)N1CCCC1)S(=O)(=O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WZUAQMOAEVPCMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(17(20)19-9-5-6-10-19)24(21,22)12-15-11-23-16(18-15)14-7-3-2-4-8-14/h2-4,7-8,11,13H,5-6,9-10,12H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one?
(2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 348.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 94029184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).