N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine

C18H33N3O — CID 71895082

IUPACN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C18H33N3O/c1-6-20(7-2)13-15-8-10-21(11-9-15)14-17-19-12-16(22-17)18(3,4)5/h12,15H,6-11,13-14H2,1-5H3
InChIKeyWVFHHUVARBJDQF-UHFFFAOYSA-N
MW307.48 g/mol
LogP3.53
Rot. Bonds6

About N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine

N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine (PubChem CID 71895082) has the molecular formula C18H33N3O and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
PubChem CID71895082
Molecular FormulaC18H33N3O
Molecular Weight307.48 g/mol
Exact Mass307.26
IUPAC NameN-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine
SMILESCCN(CC)CC1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C18H33N3O/c1-6-20(7-2)13-15-8-10-21(11-9-15)14-17-19-12-16(22-17)18(3,4)5/h12,15H,6-11,13-14H2,1-5H3
InChIKeyWVFHHUVARBJDQF-UHFFFAOYSA-N
XLogP3.53
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine (CID 71895082) is N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine is CCN(CC)CC1CCN(Cc2ncc(C(C)(C)C)o2)CC1.
What is the InChIKey of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine?
The InChIKey is WVFHHUVARBJDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O/c1-6-20(7-2)13-15-8-10-21(11-9-15)14-17-19-12-16(22-17)18(3,4)5/h12,15H,6-11,13-14H2,1-5H3.
What are the key properties of N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine?
N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine has a molecular weight of 307.48 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 71895082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).