N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

C17H26ClN3OS — CID 119928180

IUPACN-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1.Cl
InChIInChI=1S/C17H25N3OS.ClH/c1-3-18-11-14-6-8-20(9-7-14)12-15-13(2)21-17(19-15)16-5-4-10-22-16;/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3;1H
InChIKeyOONOKZCFVMWEED-UHFFFAOYSA-N
MW355.94 g/mol
LogP3.95
Rot. Bonds6

About N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride

N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (PubChem CID 119928180) has the molecular formula C17H26ClN3OS and a molecular weight of 355.94 g/mol. Its IUPAC name is N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
PubChem CID119928180
Molecular FormulaC17H26ClN3OS
Molecular Weight355.94 g/mol
Exact Mass355.15
IUPAC NameN-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
SMILESCCNCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1.Cl
InChIInChI=1S/C17H25N3OS.ClH/c1-3-18-11-14-6-8-20(9-7-14)12-15-13(2)21-17(19-15)16-5-4-10-22-16;/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3;1H
InChIKeyOONOKZCFVMWEED-UHFFFAOYSA-N
XLogP3.95
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.94
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride with MolForge

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Related Compounds

(3S)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 81491549
4-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42379670
3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 131899226
3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-amine
CID 79868555
4-[[(3R)-3-(methoxymethyl)piperidin-1-yl]methyl]-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 42382192
[3-methyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 102788849
(2R,6S)-2,6-dimethyl-4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine
CID 26384790
4-[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 77097380
5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 65448292
N-cyclohexyl-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 20860021
[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 62014930
[(2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 78916202

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride (CID 119928180) is N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is CCNCC1CCN(Cc2nc(-c3cccs3)oc2C)CC1.Cl.
What is the InChIKey of N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
The InChIKey is OONOKZCFVMWEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3OS.ClH/c1-3-18-11-14-6-8-20(9-7-14)12-15-13(2)21-17(19-15)16-5-4-10-22-16;/h4-5,10,14,18H,3,6-9,11-12H2,1-2H3;1H.
What are the key properties of N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride?
N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride has a molecular weight of 355.94 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 119928180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).