N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

C12H21N3O — CID 62439222

IUPACN-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCN(CC)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C12H21N3O/c1-3-15(4-2)9-12-7-11(14-16-12)8-13-10-5-6-10/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyOCBQGSJZEBTBRB-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds7

About N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine

N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62439222) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62439222
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCCN(CC)Cc1cc(CNC2CC2)no1
InChIInChI=1S/C12H21N3O/c1-3-15(4-2)9-12-7-11(14-16-12)8-13-10-5-6-10/h7,10,13H,3-6,8-9H2,1-2H3
InChIKeyOCBQGSJZEBTBRB-UHFFFAOYSA-N
XLogP1.77
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-[[ethyl(2-methoxyethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55072609
N-[[5-[(dibutylamino)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62418473
N-[[5-[[methyl(pentan-3-yl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55074758
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-N-methylcycloheptanamine
CID 62433873
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 81067715
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62429429
N-[[5-[[methyl(2-methylsulfanylethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 112665585
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62427363
N-[[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]methyl]-2-fluoro-N-methylaniline
CID 62435264
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-methylcyclohexan-1-amine
CID 115654524
N-[4-[3-[(cyclopropylamino)methyl]-1,2-oxazol-5-yl]butyl]cyclopropanamine
CID 66322123

Frequently Asked Questions

What is the IUPAC name of N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62439222) is N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is CCN(CC)Cc1cc(CNC2CC2)no1.
What is the InChIKey of N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is OCBQGSJZEBTBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-15(4-2)9-12-7-11(14-16-12)8-13-10-5-6-10/h7,10,13H,3-6,8-9H2,1-2H3.
What are the key properties of N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(diethylaminomethyl)-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62439222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).