1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine

C16H28N2O2 — CID 75376264

IUPAC1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(c1ncc(C(C)(C)C)o1)N(C)CC1CCCOC1
InChIInChI=1S/C16H28N2O2/c1-12(15-17-9-14(20-15)16(2,3)4)18(5)10-13-7-6-8-19-11-13/h9,12-13H,6-8,10-11H2,1-5H3
InChIKeyGIVMPZZZWOKYDS-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.39
Rot. Bonds4

About 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine

1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine (PubChem CID 75376264) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
PubChem CID75376264
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine
SMILESCC(c1ncc(C(C)(C)C)o1)N(C)CC1CCCOC1
InChIInChI=1S/C16H28N2O2/c1-12(15-17-9-14(20-15)16(2,3)4)18(5)10-13-7-6-8-19-11-13/h9,12-13H,6-8,10-11H2,1-5H3
InChIKeyGIVMPZZZWOKYDS-UHFFFAOYSA-N
XLogP3.39
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine (CID 75376264) is 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine is CC(c1ncc(C(C)(C)C)o1)N(C)CC1CCCOC1.
What is the InChIKey of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
The InChIKey is GIVMPZZZWOKYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-12(15-17-9-14(20-15)16(2,3)4)18(5)10-13-7-6-8-19-11-13/h9,12-13H,6-8,10-11H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine?
1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine has a molecular weight of 280.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,3-oxazol-2-yl)-N-methyl-N-(oxan-3-ylmethyl)ethanamine is sourced from PubChem (CID 75376264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).