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

C11H19N3O — CID 115085300

IUPACN-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNCCc1cnc(CC2CCNC2)o1
InChIInChI=1S/C11H19N3O/c1-12-4-3-10-8-14-11(15-10)6-9-2-5-13-7-9/h8-9,12-13H,2-7H2,1H3
InChIKeyCIHOFGAVXUJIMG-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.59
Rot. Bonds5

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

N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115085300) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115085300
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
SMILESCNCCc1cnc(CC2CCNC2)o1
InChIInChI=1S/C11H19N3O/c1-12-4-3-10-8-14-11(15-10)6-9-2-5-13-7-9/h8-9,12-13H,2-7H2,1H3
InChIKeyCIHOFGAVXUJIMG-UHFFFAOYSA-N
XLogP0.59
TPSA50.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085482
5-ethyl-2-(piperidin-3-ylmethyl)-1,3-oxazole
CID 84665659
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085458
N-methyl-3-[2-(oxolan-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085315
2-(pyrrolidin-3-ylmethyl)-1,3-oxazole-5-carbaldehyde
CID 115085208
2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]propan-1-ol
CID 115085252
N-methyl-1-[2-(piperidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086366
N-methyl-2-(2-pyrrolidin-3-yl-1,3-thiazol-5-yl)ethanamine
CID 115089840
N-methyl-3-[2-(pyrrolidin-3-ylmethyl)-1,3-thiazol-4-yl]propan-1-amine
CID 115088028
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
[2-(cyclopropylmethyl)-1,3-oxazol-5-yl]methanol
CID 165442391

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine (CID 115085300) is N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine is CNCCc1cnc(CC2CCNC2)o1.
What is the InChIKey of N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is CIHOFGAVXUJIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-12-4-3-10-8-14-11(15-10)6-9-2-5-13-7-9/h8-9,12-13H,2-7H2,1H3.
What are the key properties of N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine?
N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 209.29 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(pyrrolidin-3-ylmethyl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115085300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).