1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine

C17H22ClN3O — CID 119920593

IUPAC1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C17H22ClN3O/c1-12(19)13-5-7-21(8-6-13)10-16-11-22-17(20-16)14-3-2-4-15(18)9-14/h2-4,9,11-13H,5-8,10,19H2,1H3
InChIKeyPAZZYNIFEPMILR-UHFFFAOYSA-N
MW319.84 g/mol
LogP3.55
Rot. Bonds4

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

1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine (PubChem CID 119920593) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
PubChem CID119920593
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine
SMILESCC(N)C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1
InChIInChI=1S/C17H22ClN3O/c1-12(19)13-5-7-21(8-6-13)10-16-11-22-17(20-16)14-3-2-4-15(18)9-14/h2-4,9,11-13H,5-8,10,19H2,1H3
InChIKeyPAZZYNIFEPMILR-UHFFFAOYSA-N
XLogP3.55
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine (CID 119920593) is 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine is CC(N)C1CCN(Cc2coc(-c3cccc(Cl)c3)n2)CC1.
What is the InChIKey of 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine?
The InChIKey is PAZZYNIFEPMILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-12(19)13-5-7-21(8-6-13)10-16-11-22-17(20-16)14-3-2-4-15(18)9-14/h2-4,9,11-13H,5-8,10,19H2,1H3.
What are the key properties of 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine?
1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine has a molecular weight of 319.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 119920593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).