2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C16H20N2O3S — CID 51076787

IUPAC2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1ccc(C)c(CS(=O)C(C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H20N2O3S/c1-10-5-6-11(2)14(7-10)9-22(20)13(4)16(19)17-15-8-12(3)21-18-15/h5-8,13H,9H2,1-4H3,(H,17,18,19)
InChIKeyGNXNJKJSFIYESX-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.88
Rot. Bonds5

About 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 51076787) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID51076787
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1ccc(C)c(CS(=O)C(C)C(=O)Nc2cc(C)on2)c1
InChIInChI=1S/C16H20N2O3S/c1-10-5-6-11(2)14(7-10)9-22(20)13(4)16(19)17-15-8-12(3)21-18-15/h5-8,13H,9H2,1-4H3,(H,17,18,19)
InChIKeyGNXNJKJSFIYESX-UHFFFAOYSA-N
XLogP2.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(S)-(2-chlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 95331521
(2R)-2-[(S)-benzylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 94793005
(2R)-2-[(S)-(2,6-dichlorophenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 52521050
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfinyl]propanamide
CID 95571915
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(S)-(2-phenyl-1,3-thiazol-4-yl)methylsulfinyl]propanamide
CID 95571839
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxobutan-2-yl] 2,5-dimethylbenzoate
CID 41037166
(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350917
(2R)-N-tert-butyl-2-[(R)-(5-methyl-1,2-oxazol-3-yl)methylsulfinyl]propanamide
CID 95593592
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809
N-(2,5-dimethylphenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetamide
CID 26500071
2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4512597
(2S)-2-(2-chloro-5-methylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40647462

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 51076787) is 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1ccc(C)c(CS(=O)C(C)C(=O)Nc2cc(C)on2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is GNXNJKJSFIYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10-5-6-11(2)14(7-10)9-22(20)13(4)16(19)17-15-8-12(3)21-18-15/h5-8,13H,9H2,1-4H3,(H,17,18,19).
What are the key properties of 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 320.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)methylsulfinyl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 51076787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).