N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine

C15H27N3O2 — CID 62429429

IUPACN-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCOCCN(Cc1cc(CNC2CC2)no1)CC(C)C
InChIInChI=1S/C15H27N3O2/c1-12(2)10-18(6-7-19-3)11-15-8-14(17-20-15)9-16-13-4-5-13/h8,12-13,16H,4-7,9-11H2,1-3H3
InChIKeyJFVYKPBUQWYSBO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.03
Rot. Bonds10

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

N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (PubChem CID 62429429) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
PubChem CID62429429
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
SMILESCOCCN(Cc1cc(CNC2CC2)no1)CC(C)C
InChIInChI=1S/C15H27N3O2/c1-12(2)10-18(6-7-19-3)11-15-8-14(17-20-15)9-16-13-4-5-13/h8,12-13,16H,4-7,9-11H2,1-3H3
InChIKeyJFVYKPBUQWYSBO-UHFFFAOYSA-N
XLogP2.03
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine (CID 62429429) is N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is COCCN(Cc1cc(CNC2CC2)no1)CC(C)C.
What is the InChIKey of N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
The InChIKey is JFVYKPBUQWYSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)10-18(6-7-19-3)11-15-8-14(17-20-15)9-16-13-4-5-13/h8,12-13,16H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine?
N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 2.03, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-methoxyethyl(2-methylpropyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62429429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).