N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride

C18H25ClN2O3 — CID 155548634

IUPACN-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride
SMILESCN(CCOc1cc(COc2ccccc2)on1)C1CCCC1.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16;/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3;1H
InChIKeyMCALPHJHAPEPMJ-UHFFFAOYSA-N
MW352.86 g/mol
LogP3.93
Rot. Bonds8

About N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride

N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride (PubChem CID 155548634) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride
PubChem CID155548634
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC NameN-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride
SMILESCN(CCOc1cc(COc2ccccc2)on1)C1CCCC1.Cl
InChIInChI=1S/C18H24N2O3.ClH/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16;/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3;1H
InChIKeyMCALPHJHAPEPMJ-UHFFFAOYSA-N
XLogP3.93
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride?
The IUPAC name of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride (CID 155548634) is N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride is CN(CCOc1cc(COc2ccccc2)on1)C1CCCC1.Cl.
What is the InChIKey of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride?
The InChIKey is MCALPHJHAPEPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.ClH/c1-20(15-7-5-6-8-15)11-12-21-18-13-17(23-19-18)14-22-16-9-3-2-4-10-16;/h2-4,9-10,13,15H,5-8,11-12,14H2,1H3;1H.
What are the key properties of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride?
N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride has a molecular weight of 352.86 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride is sourced from PubChem (CID 155548634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).