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

C24H35N3O3S — CID 5308210

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1ccc(-c2nc(CS(=O)CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1
InChIInChI=1S/C24H35N3O3S/c1-17-6-8-21(9-7-17)24-26-22(20(4)30-24)15-31(29)16-23(28)25-10-5-11-27-13-18(2)12-19(3)14-27/h6-9,18-19H,5,10-16H2,1-4H3,(H,25,28)
InChIKeyOEVNUWITNDTCCO-UHFFFAOYSA-N
MW445.63 g/mol
LogP3.69
Rot. Bonds9

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

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (PubChem CID 5308210) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
PubChem CID5308210
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
SMILESCc1ccc(-c2nc(CS(=O)CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1
InChIInChI=1S/C24H35N3O3S/c1-17-6-8-21(9-7-17)24-26-22(20(4)30-24)15-31(29)16-23(28)25-10-5-11-27-13-18(2)12-19(3)14-27/h6-9,18-19H,5,10-16H2,1-4H3,(H,25,28)
InChIKeyOEVNUWITNDTCCO-UHFFFAOYSA-N
XLogP3.69
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(S)-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]acetamide
CID 92505814
2-[(R)-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92662632
2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 93159903
2-[(S)-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]acetamide
CID 92505759
N-[2-(diethylamino)ethyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide
CID 3243327
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-methoxypropyl)acetamide
CID 20860380
2-[[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(3-methoxypropyl)acetamide
CID 5075482
2-[(R)-[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 92662715
ethyl 4-[[2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetyl]amino]piperidine-1-carboxylate
CID 24789525
2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]acetamide
CID 20860581
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-cyclopropylacetamide
CID 3644918
2-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfinyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
CID 20860483

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide (CID 5308210) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is Cc1ccc(-c2nc(CS(=O)CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)cc1.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
The InChIKey is OEVNUWITNDTCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-17-6-8-21(9-7-17)24-26-22(20(4)30-24)15-31(29)16-23(28)25-10-5-11-27-13-18(2)12-19(3)14-27/h6-9,18-19H,5,10-16H2,1-4H3,(H,25,28).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide has a molecular weight of 445.63 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]acetamide is sourced from PubChem (CID 5308210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).