3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

C19H27N3O2S — CID 46097183

IUPAC3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H27N3O2S/c1-12-15(16(24-21-12)14-8-7-9-25-14)17(23)20-13-10-18(2,3)22(6)19(4,5)11-13/h7-9,13H,10-11H2,1-6H3,(H,20,23)
InChIKeyORNNEVHERYCJBP-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.09
Rot. Bonds3

About 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46097183) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46097183
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NC1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C19H27N3O2S/c1-12-15(16(24-21-12)14-8-7-9-25-14)17(23)20-13-10-18(2,3)22(6)19(4,5)11-13/h7-9,13H,10-11H2,1-6H3,(H,20,23)
InChIKeyORNNEVHERYCJBP-UHFFFAOYSA-N
XLogP4.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide with MolForge

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Related Compounds

3-methyl-N-(3-phenylpropyl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46096812
N-[2-(4-methoxyphenyl)ethyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093965
3-methyl-N-(4-phenylbutan-2-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46093882
3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 92770999
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
CID 46097006
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46093867
N-cyclopropyl-1-methyl-5-thiophen-2-ylpyrazole-3-carboxamide
CID 110335992

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46097183) is 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NC1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is ORNNEVHERYCJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-12-15(16(24-21-12)14-8-7-9-25-14)17(23)20-13-10-18(2,3)22(6)19(4,5)11-13/h7-9,13H,10-11H2,1-6H3,(H,20,23).
What are the key properties of 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).