1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride

C15H23Cl2N3OS — CID 119920709

IUPAC1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCC(N)C1CCN(Cc2coc(-c3cccs3)n2)CC1.Cl.Cl
InChIInChI=1S/C15H21N3OS.2ClH/c1-11(16)12-4-6-18(7-5-12)9-13-10-19-15(17-13)14-3-2-8-20-14;;/h2-3,8,10-12H,4-7,9,16H2,1H3;2*1H
InChIKeyKKYXEQDYETWDBI-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.81
Rot. Bonds4

About 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride

1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride (PubChem CID 119920709) has the molecular formula C15H23Cl2N3OS and a molecular weight of 364.34 g/mol. Its IUPAC name is 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
PubChem CID119920709
Molecular FormulaC15H23Cl2N3OS
Molecular Weight364.34 g/mol
Exact Mass363.09
IUPAC Name1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
SMILESCC(N)C1CCN(Cc2coc(-c3cccs3)n2)CC1.Cl.Cl
InChIInChI=1S/C15H21N3OS.2ClH/c1-11(16)12-4-6-18(7-5-12)9-13-10-19-15(17-13)14-3-2-8-20-14;;/h2-3,8,10-12H,4-7,9,16H2,1H3;2*1H
InChIKeyKKYXEQDYETWDBI-UHFFFAOYSA-N
XLogP3.81
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride with MolForge

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Related Compounds

3-ethyl-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 81458720
1-[1-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]ethanamine
CID 63594663
2-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]azetidin-3-yl]propanoic acid
CID 116684356
N-(cyclopropylmethyl)-1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 119926543
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-3-amine
CID 61295934
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
CID 119920593
4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 9116647
4-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-2-thiophen-2-yl-1,3-oxazole
CID 134011279
N-(1-cyclopropylethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropanamine
CID 86983852
2-morpholin-4-yl-1-[4-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 29484382
1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride
CID 119920780
1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-amine
CID 66230325

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The IUPAC name of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride (CID 119920709) is 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride.
What is the SMILES notation for 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The canonical SMILES for 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride is CC(N)C1CCN(Cc2coc(-c3cccs3)n2)CC1.Cl.Cl.
What is the InChIKey of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
The InChIKey is KKYXEQDYETWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS.2ClH/c1-11(16)12-4-6-18(7-5-12)9-13-10-19-15(17-13)14-3-2-8-20-14;;/h2-3,8,10-12H,4-7,9,16H2,1H3;2*1H.
What are the key properties of 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride?
1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride has a molecular weight of 364.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]ethanamine;dihydrochloride is sourced from PubChem (CID 119920709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).