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

C11H18N2O3 — CID 106371533

IUPAC1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCC2CCOCO2)o1
InChIInChI=1S/C11H18N2O3/c1-2-9-6-13-11(16-9)7-12-5-10-3-4-14-8-15-10/h6,10,12H,2-5,7-8H2,1H3
InChIKeyCIEIBCILQDPUBK-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.09
Rot. Bonds5

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

1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (PubChem CID 106371533) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
PubChem CID106371533
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
SMILESCCc1cnc(CNCC2CCOCO2)o1
InChIInChI=1S/C11H18N2O3/c1-2-9-6-13-11(16-9)7-12-5-10-3-4-14-8-15-10/h6,10,12H,2-5,7-8H2,1H3
InChIKeyCIEIBCILQDPUBK-UHFFFAOYSA-N
XLogP1.09
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 103275367
1-(1,3-dioxan-4-yl)-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 106011037
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107167980
1-(2,3-dihydro-1-benzofuran-2-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371585
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(2,4,5-trimethylphenyl)methanamine
CID 104889459
1-(1,3-dioxan-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 81102183
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butan-1-amine
CID 106369292
1-(1,3-dioxan-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 81101919
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,2-difluoroethanamine
CID 106371339
1-(1,3-dioxan-4-yl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 81102296
(2R)-1-[(5-ethyl-1,3-oxazol-2-yl)methylamino]propan-2-ol
CID 106371562
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 106371299

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine (CID 106371533) is 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is CCc1cnc(CNCC2CCOCO2)o1.
What is the InChIKey of 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
The InChIKey is CIEIBCILQDPUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-9-6-13-11(16-9)7-12-5-10-3-4-14-8-15-10/h6,10,12H,2-5,7-8H2,1H3.
What are the key properties of 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine?
1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine has a molecular weight of 226.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxan-4-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]methanamine is sourced from PubChem (CID 106371533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).