2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

C16H19FN2O2S — CID 46646744

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1noc(C)c1CSC(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-10-15(11(2)21-19-10)9-22-12(3)16(20)18-8-13-4-6-14(17)7-5-13/h4-7,12H,8-9H2,1-3H3,(H,18,20)
InChIKeyNAMFYYRXWSHWON-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.37
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 46646744) has the molecular formula C16H19FN2O2S and a molecular weight of 322.40 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID46646744
Molecular FormulaC16H19FN2O2S
Molecular Weight322.40 g/mol
Exact Mass322.12
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESCc1noc(C)c1CSC(C)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2S/c1-10-15(11(2)21-19-10)9-22-12(3)16(20)18-8-13-4-6-14(17)7-5-13/h4-7,12H,8-9H2,1-3H3,(H,18,20)
InChIKeyNAMFYYRXWSHWON-UHFFFAOYSA-N
XLogP3.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 78807173
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 86915899
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylsulfanyl)propanamide
CID 71926090
4-[(4-fluorophenoxy)methyl]-N-[(4-fluorophenyl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19445267
(2R)-2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 40879933
(2R)-N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]propanamide
CID 41259137
1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111763696
2-[[4-(hydroxymethyl)phenyl]methylsulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 110006995
2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46664240
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]acetamide
CID 86986255
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(4-fluorophenyl)-2-hydroxyethyl]benzamide
CID 78866804
(2R)-N-[(4-fluorophenyl)methyl]-2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanylpropanamide
CID 41095797

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide (CID 46646744) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide is Cc1noc(C)c1CSC(C)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is NAMFYYRXWSHWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2S/c1-10-15(11(2)21-19-10)9-22-12(3)16(20)18-8-13-4-6-14(17)7-5-13/h4-7,12H,8-9H2,1-3H3,(H,18,20).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 322.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 46646744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).