N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

C18H24N2O4S — CID 5308325

IUPACN-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCOCCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C18H24N2O4S/c1-13-7-4-5-8-15(13)18-20-16(14(2)24-18)11-25(22)12-17(21)19-9-6-10-23-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)
InChIKeyQGCXRGYCORORLT-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.36
Rot. Bonds9

About N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide

N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 5308325) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID5308325
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCOCCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C18H24N2O4S/c1-13-7-4-5-8-15(13)18-20-16(14(2)24-18)11-25(22)12-17(21)19-9-6-10-23-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21)
InChIKeyQGCXRGYCORORLT-UHFFFAOYSA-N
XLogP2.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide 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 N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 5308325) is N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is COCCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is QGCXRGYCORORLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-13-7-4-5-8-15(13)18-20-16(14(2)24-18)11-25(22)12-17(21)19-9-6-10-23-3/h4-5,7-8H,6,9-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 364.47 g/mol, XLogP of 2.36, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 5308325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).