2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride

C18H27Cl2N3O2S — CID 119824615

IUPAC2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
SMILESCCCN(C(=O)Cc1nc(-c2ccsc2)oc1C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H25N3O2S.2ClH/c1-3-9-21(15-4-7-19-8-5-15)17(22)11-16-13(2)23-18(20-16)14-6-10-24-12-14;;/h6,10,12,15,19H,3-5,7-9,11H2,1-2H3;2*1H
InChIKeyKOEJQKMUXATBLC-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.09
Rot. Bonds6

About 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride

2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride (PubChem CID 119824615) has the molecular formula C18H27Cl2N3O2S and a molecular weight of 420.41 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
PubChem CID119824615
Molecular FormulaC18H27Cl2N3O2S
Molecular Weight420.41 g/mol
Exact Mass419.12
IUPAC Name2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
SMILESCCCN(C(=O)Cc1nc(-c2ccsc2)oc1C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C18H25N3O2S.2ClH/c1-3-9-21(15-4-7-19-8-5-15)17(22)11-16-13(2)23-18(20-16)14-6-10-24-12-14;;/h6,10,12,15,19H,3-5,7-9,11H2,1-2H3;2*1H
InChIKeyKOEJQKMUXATBLC-UHFFFAOYSA-N
XLogP4.09
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-N-propyl-2-thiophen-3-ylacetamide
CID 60806077
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 120998250
1-[2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetyl]piperidine-4-carboxylic acid
CID 119166403
2-(2-ethyl-1,3-thiazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 119824154
2-(1,2-oxazol-3-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride
CID 91659773
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119650306
N-(azetidin-3-yl)-N-propyl-2-thiophen-3-ylacetamide
CID 66183322
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 95317942
N-[2-(aminomethyl)cyclopentyl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetamide
CID 119602831
1-[(2R)-2,4-dimethylpiperazin-1-yl]-2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)ethanone
CID 97066582
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119531441
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531755

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The IUPAC name of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride (CID 119824615) is 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The canonical SMILES for 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride is CCCN(C(=O)Cc1nc(-c2ccsc2)oc1C)C1CCNCC1.Cl.Cl.
What is the InChIKey of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
The InChIKey is KOEJQKMUXATBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.2ClH/c1-3-9-21(15-4-7-19-8-5-15)17(22)11-16-13(2)23-18(20-16)14-6-10-24-12-14;;/h6,10,12,15,19H,3-5,7-9,11H2,1-2H3;2*1H.
What are the key properties of 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride?
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride has a molecular weight of 420.41 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)-N-piperidin-4-yl-N-propylacetamide;dihydrochloride is sourced from PubChem (CID 119824615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).