N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine

C11H18N2O2 — CID 115082353

IUPACN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNC(C)c1coc(CC2CCOC2)n1
InChIInChI=1S/C11H18N2O2/c1-8(12-2)10-7-15-11(13-10)5-9-3-4-14-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyHNACBANKEJCKCX-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine

N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115082353) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115082353
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
SMILESCNC(C)c1coc(CC2CCOC2)n1
InChIInChI=1S/C11H18N2O2/c1-8(12-2)10-7-15-11(13-10)5-9-3-4-14-6-9/h7-9,12H,3-6H2,1-2H3
InChIKeyHNACBANKEJCKCX-UHFFFAOYSA-N
XLogP1.53
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085273
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
2-(oxolan-3-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 115082408
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-one
CID 115082311
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
N-methyl-3-[2-(oxan-3-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115083477
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
N-methyl-4-[1-(methylamino)ethyl]-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 64543178
N-methyl-3-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115082555
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
1-[2-(piperidin-4-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082506

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine (CID 115082353) is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine is CNC(C)c1coc(CC2CCOC2)n1.
What is the InChIKey of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is HNACBANKEJCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(12-2)10-7-15-11(13-10)5-9-3-4-14-6-9/h7-9,12H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine?
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 210.28 g/mol, XLogP of 1.53, 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-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115082353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).