2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine

C11H18N2O3 — CID 106658722

IUPAC2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine
SMILESCc1cc(CNC2COC(C)(C)OC2)on1
InChIInChI=1S/C11H18N2O3/c1-8-4-10(16-13-8)5-12-9-6-14-11(2,3)15-7-9/h4,9,12H,5-7H2,1-3H3
InChIKeyJPASTSVXCZNWID-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.22
Rot. Bonds3

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

2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine (PubChem CID 106658722) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine
PubChem CID106658722
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine
SMILESCc1cc(CNC2COC(C)(C)OC2)on1
InChIInChI=1S/C11H18N2O3/c1-8-4-10(16-13-8)5-12-9-6-14-11(2,3)15-7-9/h4,9,12H,5-7H2,1-3H3
InChIKeyJPASTSVXCZNWID-UHFFFAOYSA-N
XLogP1.22
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine (CID 106658722) is 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine is Cc1cc(CNC2COC(C)(C)OC2)on1.
What is the InChIKey of 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine?
The InChIKey is JPASTSVXCZNWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-4-10(16-13-8)5-12-9-6-14-11(2,3)15-7-9/h4,9,12H,5-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine has a molecular weight of 226.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 106658722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).