N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

C17H23N3O2S — CID 75419987

IUPACN-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCCN1CCCC(CNC(=O)Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C17H23N3O2S/c1-2-20-7-3-5-13(11-20)10-18-16(21)9-14-12-22-17(19-14)15-6-4-8-23-15/h4,6,8,12-13H,2-3,5,7,9-11H2,1H3,(H,18,21)
InChIKeyPCXPCQIAKYWWHV-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.79
Rot. Bonds6

About N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide

N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (PubChem CID 75419987) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
PubChem CID75419987
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
SMILESCCN1CCCC(CNC(=O)Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C17H23N3O2S/c1-2-20-7-3-5-13(11-20)10-18-16(21)9-14-12-22-17(19-14)15-6-4-8-23-15/h4,6,8,12-13H,2-3,5,7,9-11H2,1H3,(H,18,21)
InChIKeyPCXPCQIAKYWWHV-UHFFFAOYSA-N
XLogP2.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
N-(2-ethyl-2-hydroxybutyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111463482
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 95159322
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167729
3-(1,3-benzothiazol-2-yl)-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]propanamide
CID 94810927
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111590686
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide
CID 119479550
N-(2-methylpiperidin-4-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 120599740
1-(1-ethylpiperidin-3-yl)-N-(thiophen-2-ylmethyl)methanamine;hydrochloride
CID 115597499
N-[(1-ethylpyrrolidin-3-yl)methyl]thiophene-2-carboxamide
CID 61242837
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111486232

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The IUPAC name of N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide (CID 75419987) is N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The canonical SMILES for N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is CCN1CCCC(CNC(=O)Cc2coc(-c3cccs3)n2)C1.
What is the InChIKey of N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
The InChIKey is PCXPCQIAKYWWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-2-20-7-3-5-13(11-20)10-18-16(21)9-14-12-22-17(19-14)15-6-4-8-23-15/h4,6,8,12-13H,2-3,5,7,9-11H2,1H3,(H,18,21).
What are the key properties of N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide?
N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-3-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide is sourced from PubChem (CID 75419987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).