4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine

C12H20N2O2 — CID 70955032

IUPAC4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine
SMILESCCc1coc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C12H20N2O2/c1-3-11-9-16-12(13-11)14(2)8-10-4-6-15-7-5-10/h9-10H,3-8H2,1-2H3
InChIKeyHZZPMCKQDQCCDY-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.10
Rot. Bonds4

About 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine

4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine (PubChem CID 70955032) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine
PubChem CID70955032
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine
SMILESCCc1coc(N(C)CC2CCOCC2)n1
InChIInChI=1S/C12H20N2O2/c1-3-11-9-16-12(13-11)14(2)8-10-4-6-15-7-5-10/h9-10H,3-8H2,1-2H3
InChIKeyHZZPMCKQDQCCDY-UHFFFAOYSA-N
XLogP2.10
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine (CID 70955032) is 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine is CCc1coc(N(C)CC2CCOCC2)n1.
What is the InChIKey of 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine?
The InChIKey is HZZPMCKQDQCCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-11-9-16-12(13-11)14(2)8-10-4-6-15-7-5-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine?
4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine has a molecular weight of 224.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-methyl-N-(oxan-4-ylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 70955032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).