N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine

C11H18N2O2 — CID 115085884

IUPACN-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(C2CCCCO2)o1
InChIInChI=1S/C11H18N2O2/c1-8(12-2)10-7-13-11(15-10)9-5-3-4-6-14-9/h7-9,12H,3-6H2,1-2H3
InChIKeyXCAVRPXDFXBQCJ-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine

N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085884) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115085884
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(C2CCCCO2)o1
InChIInChI=1S/C11H18N2O2/c1-8(12-2)10-7-13-11(15-10)9-5-3-4-6-14-9/h7-9,12H,3-6H2,1-2H3
InChIKeyXCAVRPXDFXBQCJ-UHFFFAOYSA-N
XLogP2.20
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine (CID 115085884) is N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine is CNC(C)c1cnc(C2CCCCO2)o1.
What is the InChIKey of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is XCAVRPXDFXBQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(12-2)10-7-13-11(15-10)9-5-3-4-6-14-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine?
N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-2-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).