1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine

C11H20N2O — CID 115084216

IUPAC1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1coc(CC(C)(C)C)n1
InChIInChI=1S/C11H20N2O/c1-8(12-5)9-7-14-10(13-9)6-11(2,3)4/h7-8,12H,6H2,1-5H3
InChIKeyYBBAOMZOFBFBLN-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.54
Rot. Bonds3

About 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine

1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine (PubChem CID 115084216) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine
PubChem CID115084216
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine
SMILESCNC(C)c1coc(CC(C)(C)C)n1
InChIInChI=1S/C11H20N2O/c1-8(12-5)9-7-14-10(13-9)6-11(2,3)4/h7-8,12H,6H2,1-5H3
InChIKeyYBBAOMZOFBFBLN-UHFFFAOYSA-N
XLogP2.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(fluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 84764008
1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-2-amine
CID 115084227
1-(2-tert-butyl-1,3-oxazol-4-yl)-N-methylethanamine
CID 115084255
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
2-(2,2-dimethylpropyl)-4-methyl-1,3-oxazole
CID 89177733
3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084234
N-methyl-2-(4-propan-2-yl-1,3-oxazol-2-yl)ethanamine
CID 89034221
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
1-[2-(1-ethylpyrrolidin-3-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082080
1-[2-(3-chlorophenyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115084331
1-[2-(1,1-dioxothian-4-yl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 115082210
N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082822

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine (CID 115084216) is 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine is CNC(C)c1coc(CC(C)(C)C)n1.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine?
The InChIKey is YBBAOMZOFBFBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(12-5)9-7-14-10(13-9)6-11(2,3)4/h7-8,12H,6H2,1-5H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine?
1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine has a molecular weight of 196.29 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylethanamine is sourced from PubChem (CID 115084216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).