N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine

C12H20N2O2 — CID 65179092

IUPACN-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine
SMILESCNCc1ncc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C12H20N2O2/c1-7-8(2)15-9(3)12(7)10-5-14-11(16-10)6-13-4/h5,7-9,12-13H,6H2,1-4H3
InChIKeyAGNVRGGVHKHSCI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.92
Rot. Bonds3

About N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine

N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65179092) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine
PubChem CID65179092
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine
SMILESCNCc1ncc(C2C(C)OC(C)C2C)o1
InChIInChI=1S/C12H20N2O2/c1-7-8(2)15-9(3)12(7)10-5-14-11(16-10)6-13-4/h5,7-9,12-13H,6H2,1-4H3
InChIKeyAGNVRGGVHKHSCI-UHFFFAOYSA-N
XLogP1.92
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine (CID 65179092) is N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine is CNCc1ncc(C2C(C)OC(C)C2C)o1.
What is the InChIKey of N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is AGNVRGGVHKHSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-7-8(2)15-9(3)12(7)10-5-14-11(16-10)6-13-4/h5,7-9,12-13H,6H2,1-4H3.
What are the key properties of N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine?
N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 224.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65179092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).