N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C17H23N3O2S — CID 134057102

IUPACN-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cc(-c2cccs2)on1)N1CCCCC1
InChIInChI=1S/C17H23N3O2S/c1-17(2,20-8-4-3-5-9-20)12-18-16(21)13-11-14(22-19-13)15-7-6-10-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,18,21)
InChIKeyVROFIIQGJREQCG-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.40
Rot. Bonds5

About N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 134057102) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID134057102
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)(CNC(=O)c1cc(-c2cccs2)on1)N1CCCCC1
InChIInChI=1S/C17H23N3O2S/c1-17(2,20-8-4-3-5-9-20)12-18-16(21)13-11-14(22-19-13)15-7-6-10-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,18,21)
InChIKeyVROFIIQGJREQCG-UHFFFAOYSA-N
XLogP3.40
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 35577892
N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 176776996
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 39866693
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 106353110
N-(5-morpholin-4-ylpentyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 135334778
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N'-(cyclopropanecarbonyl)-5-thiophen-2-yl-1,2-oxazole-3-carbohydrazide
CID 134050746
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 20899204
N-[5-(3-methylpiperidin-1-yl)pentyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 163542403
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122298311
methyl 1-[5-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]pentyl]azetidine-3-carboxylate
CID 135334759

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 134057102) is N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CC(C)(CNC(=O)c1cc(-c2cccs2)on1)N1CCCCC1.
What is the InChIKey of N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VROFIIQGJREQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,20-8-4-3-5-9-20)12-18-16(21)13-11-14(22-19-13)15-7-6-10-23-15/h6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,18,21).
What are the key properties of N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-piperidin-1-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 134057102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).