N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine

C11H18N2O2 — CID 115085273

IUPACN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCOC2)o1
InChIInChI=1S/C11H18N2O2/c1-8(12-2)10-6-13-11(15-10)5-9-3-4-14-7-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyBGVXKLGJSPVXSQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.53
Rot. Bonds4

About N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine

N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085273) 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-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115085273
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNC(C)c1cnc(CC2CCOC2)o1
InChIInChI=1S/C11H18N2O2/c1-8(12-2)10-6-13-11(15-10)5-9-3-4-14-7-9/h6,8-9,12H,3-5,7H2,1-2H3
InChIKeyBGVXKLGJSPVXSQ-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

N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082353
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
1-[2-[(1,1-dioxothian-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylethanamine
CID 115086201
N-methyl-1-(2-propyl-1,3-oxazol-5-yl)ethanamine
CID 115087026
N-ethyl-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 103987982
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
N-[[2-(oxolan-3-ylmethyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 103988061
1-(6-chloro-3-pyridinyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 115776721
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 106369698
(3S)-N-methyl-1-[[(3S)-oxolan-3-yl]methyl]-N-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 96512243

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine (CID 115085273) is N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine is CNC(C)c1cnc(CC2CCOC2)o1.
What is the InChIKey of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is BGVXKLGJSPVXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8(12-2)10-6-13-11(15-10)5-9-3-4-14-7-9/h6,8-9,12H,3-5,7H2,1-2H3.
What are the key properties of N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-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-5-yl]ethanamine is sourced from PubChem (CID 115085273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).