[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine

C11H19N3O — CID 115094111

IUPAC[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCCN1CCCC1Cc1cc(CN)no1
InChIInChI=1S/C11H19N3O/c1-2-14-5-3-4-10(14)7-11-6-9(8-12)13-15-11/h6,10H,2-5,7-8,12H2,1H3
InChIKeyXJKXQFCTTNICMD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds4

About [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine

[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 115094111) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID115094111
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCCN1CCCC1Cc1cc(CN)no1
InChIInChI=1S/C11H19N3O/c1-2-14-5-3-4-10(14)7-11-6-9(8-12)13-15-11/h6,10H,2-5,7-8,12H2,1H3
InChIKeyXJKXQFCTTNICMD-UHFFFAOYSA-N
XLogP1.16
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1-ethylpiperidin-2-yl)methyl]-1,2-oxazole-3-carbaldehyde
CID 115094179
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362
[5-(cyclopropylmethyl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 139022623
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazol-5-yl]methanamine
CID 115092671
N-[[5-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 79312573
4-chloro-6-[(1-ethylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 117106043
(5-ethyl-1,2-oxazol-3-yl)methanamine
CID 23006259
[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methanamine
CID 62417815
[5-(thian-2-ylmethyl)-1,2-oxazol-3-yl]methanamine
CID 115094147
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62438602
[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 115079962
ethane;(1-ethylpyrrolidin-2-yl)methanamine
CID 142961136

Frequently Asked Questions

What is the IUPAC name of [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine (CID 115094111) is [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine is CCN1CCCC1Cc1cc(CN)no1.
What is the InChIKey of [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is XJKXQFCTTNICMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-5-3-4-10(14)7-11-6-9(8-12)13-15-11/h6,10H,2-5,7-8,12H2,1H3.
What are the key properties of [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine?
[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 115094111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).