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

C18H21FN2O5S — CID 51947141

IUPAC(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-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-LRDDRELGSA-N
MW396.44 g/mol
LogP2.08
Rot. Bonds7

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

(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 51947141) 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-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID51947141
Molecular FormulaC18H21FN2O5S
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-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-LRDDRELGSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 51947141) is (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-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-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is VEVNPUHYPNRCGT-LRDDRELGSA-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-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[[(2S)-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-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 51947141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).