N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine

C12H20N2O2 — CID 115082682

IUPACN-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1coc(C2CCCOC2)n1
InChIInChI=1S/C12H20N2O2/c1-9(13-2)6-11-8-16-12(14-11)10-4-3-5-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyGSNKRXHRRIFIAB-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.72
Rot. Bonds4

About N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine

N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine (PubChem CID 115082682) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
PubChem CID115082682
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine
SMILESCNC(C)Cc1coc(C2CCCOC2)n1
InChIInChI=1S/C12H20N2O2/c1-9(13-2)6-11-8-16-12(14-11)10-4-3-5-15-7-10/h8-10,13H,3-7H2,1-2H3
InChIKeyGSNKRXHRRIFIAB-UHFFFAOYSA-N
XLogP1.72
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.72
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-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine (CID 115082682) is N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine is CNC(C)Cc1coc(C2CCCOC2)n1.
What is the InChIKey of N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
The InChIKey is GSNKRXHRRIFIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(13-2)6-11-8-16-12(14-11)10-4-3-5-15-7-10/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine?
N-methyl-1-[2-(oxan-3-yl)-1,3-oxazol-4-yl]propan-2-amine has a molecular weight of 224.30 g/mol, XLogP of 1.72, 4 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-3-yl)-1,3-oxazol-4-yl]propan-2-amine is sourced from PubChem (CID 115082682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).