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

C12H21N3O — CID 62438602

IUPAC1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCCC1CCCN1Cc1cc(CNC)no1
InChIInChI=1S/C12H21N3O/c1-3-11-5-4-6-15(11)9-12-7-10(8-13-2)14-16-12/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyLQACBSSAKMCGCQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds5

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

1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (PubChem CID 62438602) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
PubChem CID62438602
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
SMILESCCC1CCCN1Cc1cc(CNC)no1
InChIInChI=1S/C12H21N3O/c1-3-11-5-4-6-15(11)9-12-7-10(8-13-2)14-16-12/h7,11,13H,3-6,8-9H2,1-2H3
InChIKeyLQACBSSAKMCGCQ-UHFFFAOYSA-N
XLogP1.77
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070248
N-[[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62438604
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074345
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
N-[[5-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62889225
5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
1-[1-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62888362
N-[[5-[(2,3-dimethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62413684
1-[5-[(4-ethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55070286
1-[5-[(2-ethylazepan-1-yl)methyl]-3-methylfuran-2-yl]-N-methylmethanamine
CID 104692232

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine (CID 62438602) is 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is CCC1CCCN1Cc1cc(CNC)no1.
What is the InChIKey of 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
The InChIKey is LQACBSSAKMCGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-11-5-4-6-15(11)9-12-7-10(8-13-2)14-16-12/h7,11,13H,3-6,8-9H2,1-2H3.
What are the key properties of 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine?
1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62438602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).