(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide

C16H19FN2O3S — CID 95323940

IUPAC(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2O3S/c1-3-8-18-15(20)11(2)23(21)10-14-9-22-16(19-14)12-4-6-13(17)7-5-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,20)/t11-,23+/m1/s1
InChIKeySCHFLKHFSGJNHZ-BGJPBQGDSA-N
MW338.40 g/mol
LogP2.64
Rot. Bonds7

About (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide

(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide (PubChem CID 95323940) has the molecular formula C16H19FN2O3S and a molecular weight of 338.40 g/mol. Its IUPAC name is (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide
PubChem CID95323940
Molecular FormulaC16H19FN2O3S
Molecular Weight338.40 g/mol
Exact Mass338.11
IUPAC Name(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide
SMILESCCCNC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H19FN2O3S/c1-3-8-18-15(20)11(2)23(21)10-14-9-22-16(19-14)12-4-6-13(17)7-5-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,20)/t11-,23+/m1/s1
InChIKeySCHFLKHFSGJNHZ-BGJPBQGDSA-N
XLogP2.64
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-N-(2-methylpropyl)-2-[(S)-(2-phenyl-1,3-oxazol-4-yl)methylsulfinyl]propanamide
CID 95351359
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-propylamino]-N-propylacetamide
CID 87015036
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-hydroxy-4-methylpentyl)acetamide
CID 111460664
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111455115
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-methoxyurea
CID 86816786
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180414
3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122000027
(2S)-2-[(S)-(3-fluorophenyl)methylsulfinyl]-N-propylpropanamide
CID 95332184
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]urea
CID 56519569
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(3-methylbutyl)guanidine
CID 110978729
1-ethyl-3-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-2-(3-methylbutyl)guanidine;hydroiodide
CID 110978728

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide?
The IUPAC name of (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide (CID 95323940) is (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide.
What is the SMILES notation for (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide?
The canonical SMILES for (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide is CCCNC(=O)[C@@H](C)[S@@](=O)Cc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide?
The InChIKey is SCHFLKHFSGJNHZ-BGJPBQGDSA-N. The full InChI is InChI=1S/C16H19FN2O3S/c1-3-8-18-15(20)11(2)23(21)10-14-9-22-16(19-14)12-4-6-13(17)7-5-12/h4-7,9,11H,3,8,10H2,1-2H3,(H,18,20)/t11-,23+/m1/s1.
What are the key properties of (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide?
(2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide has a molecular weight of 338.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(S)-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-propylpropanamide is sourced from PubChem (CID 95323940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).