1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine

C10H18N2O2 — CID 115712416

IUPAC1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1cc(C)on1
InChIInChI=1S/C10H18N2O2/c1-4-13-7-8(2)11-6-10-5-9(3)14-12-10/h5,8,11H,4,6-7H2,1-3H3
InChIKeyMVXDZIUIKYATEH-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.50
Rot. Bonds6

About 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine

1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine (PubChem CID 115712416) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
PubChem CID115712416
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine
SMILESCCOCC(C)NCc1cc(C)on1
InChIInChI=1S/C10H18N2O2/c1-4-13-7-8(2)11-6-10-5-9(3)14-12-10/h5,8,11H,4,6-7H2,1-3H3
InChIKeyMVXDZIUIKYATEH-UHFFFAOYSA-N
XLogP1.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine (CID 115712416) is 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine is CCOCC(C)NCc1cc(C)on1.
What is the InChIKey of 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
The InChIKey is MVXDZIUIKYATEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-13-7-8(2)11-6-10-5-9(3)14-12-10/h5,8,11H,4,6-7H2,1-3H3.
What are the key properties of 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine?
1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine has a molecular weight of 198.27 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 115712416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).