N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

C13H21N3O2S — CID 114627772

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1noc(C)c1CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H21N3O2S/c1-9-12(10(2)18-16-9)7-15-13(17)8-19-11-3-5-14-6-4-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyHRIPYPPRVILMNN-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.39
Rot. Bonds5

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627772) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627772
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1noc(C)c1CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H21N3O2S/c1-9-12(10(2)18-16-9)7-15-13(17)8-19-11-3-5-14-6-4-11/h11,14H,3-8H2,1-2H3,(H,15,17)
InChIKeyHRIPYPPRVILMNN-UHFFFAOYSA-N
XLogP1.39
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide 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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24979429
1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 46942636
N-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-1,3-thiazole-5-carboxamide
CID 46943757
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-ethylacetamide
CID 24686937
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 24687394
N-(dicyclopropylmethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 30699472
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47278907
3,5-dimethyl-N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-1,2-oxazole-4-carboxamide
CID 47830217
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(methanesulfonamido)piperidine-1-carboxamide
CID 47862367
4-(diethylamino)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidine-1-carboxamide
CID 47865546
3-(1-Acetylpiperidin-4-yl)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 51083735
tert-butyl N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]carbamate
CID 52354045

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627772) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is Cc1noc(C)c1CNC(=O)CSC1CCNCC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is HRIPYPPRVILMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-12(10(2)18-16-9)7-15-13(17)8-19-11-3-5-14-6-4-11/h11,14H,3-8H2,1-2H3,(H,15,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 283.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).