(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C18H21FN2O5S — CID 51947143

IUPAC(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H21FN2O5S/c1-12(17(22)20-9-16-6-3-7-25-16)27(23,24)11-15-10-26-18(21-15)13-4-2-5-14(19)8-13/h2,4-5,8,10,12,16H,3,6-7,9,11H2,1H3,(H,20,22)/t12-,16+/m0/s1
InChIKeyVEVNPUHYPNRCGT-BLLLJJGKSA-N
MW396.44 g/mol
LogP2.08
Rot. Bonds7

About (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 51947143) has the molecular formula C18H21FN2O5S and a molecular weight of 396.44 g/mol. Its IUPAC name is (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID51947143
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C18H21FN2O5S/c1-12(17(22)20-9-16-6-3-7-25-16)27(23,24)11-15-10-26-18(21-15)13-4-2-5-14(19)8-13/h2,4-5,8,10,12,16H,3,6-7,9,11H2,1H3,(H,20,22)/t12-,16+/m0/s1
InChIKeyVEVNPUHYPNRCGT-BLLLJJGKSA-N
XLogP2.08
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 51947141
N-[(4-fluorophenyl)methyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfonyl]propanamide
CID 55746214
2-[(3-fluorophenyl)methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94087831
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl-(oxolan-2-ylmethyl)amino]propanenitrile
CID 56663495
(2R)-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94067063
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfonylpropanamide
CID 94027204
(2S)-2-(2-chlorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94027230
3-fluoro-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]benzamide
CID 75800008
2,6-difluoro-N-[(2R)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747399
2,6-difluoro-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 34747404
3-(3-fluorophenyl)-7-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2H-indazole-5-carboxamide
CID 58582130
2-(N-acetyl-3-fluoroanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 113177577

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 51947143) is (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@@H](C(=O)NC[C@H]1CCCO1)S(=O)(=O)Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is VEVNPUHYPNRCGT-BLLLJJGKSA-N. The full InChI is InChI=1S/C18H21FN2O5S/c1-12(17(22)20-9-16-6-3-7-25-16)27(23,24)11-15-10-26-18(21-15)13-4-2-5-14(19)8-13/h2,4-5,8,10,12,16H,3,6-7,9,11H2,1H3,(H,20,22)/t12-,16+/m0/s1.
What are the key properties of (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 396.44 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 51947143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).