N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C16H27N3O2 — CID 75681402

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C16H27N3O2/c1-5-14-15(13(4)21-18-14)16(20)17-6-7-19-9-11(2)8-12(3)10-19/h11-12H,5-10H2,1-4H3,(H,17,20)
InChIKeyNHUFTFRNDTUMSC-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 75681402) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID75681402
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCN1CC(C)CC(C)C1
InChIInChI=1S/C16H27N3O2/c1-5-14-15(13(4)21-18-14)16(20)17-6-7-19-9-11(2)8-12(3)10-19/h11-12H,5-10H2,1-4H3,(H,17,20)
InChIKeyNHUFTFRNDTUMSC-UHFFFAOYSA-N
XLogP2.25
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51594189
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 55674939
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 31364787
N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47417059
3-ethyl-5-methyl-N-(2-pyrrolidin-1-ylsulfonylethyl)-1,2-oxazole-4-carboxamide
CID 74244514
3-ethyl-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 34993025
3-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]azetidine-1-sulfonyl fluoride
CID 166410739
3-ethyl-N-(4-hydroxycyclohexyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43392593
N-(1-adamantyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 18194330
N-(3,3-dimethylcyclopentyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 115882523
3-ethyl-5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 24687486
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 75681402) is N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCN1CC(C)CC(C)C1.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is NHUFTFRNDTUMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-14-15(13(4)21-18-14)16(20)17-6-7-19-9-11(2)8-12(3)10-19/h11-12H,5-10H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 75681402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).