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

C19H26ClFN2O3 — CID 155535240

IUPACN-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
SMILESCN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1.Cl
InChIInChI=1S/C19H25FN2O3.ClH/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17;/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3;1H
InChIKeyUPJKZCAVTNOOTN-UHFFFAOYSA-N
MW384.88 g/mol
LogP4.46
Rot. Bonds8

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

N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride (PubChem CID 155535240) has the molecular formula C19H26ClFN2O3 and a molecular weight of 384.88 g/mol. Its IUPAC name is N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
PubChem CID155535240
Molecular FormulaC19H26ClFN2O3
Molecular Weight384.88 g/mol
Exact Mass384.16
IUPAC NameN-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
SMILESCN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1.Cl
InChIInChI=1S/C19H25FN2O3.ClH/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17;/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3;1H
InChIKeyUPJKZCAVTNOOTN-UHFFFAOYSA-N
XLogP4.46
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.88
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
The IUPAC name of N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride (CID 155535240) is N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
The canonical SMILES for N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride is CN(CCOc1cc(COc2cccc(F)c2)on1)C1CCCCC1.Cl.
What is the InChIKey of N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
The InChIKey is UPJKZCAVTNOOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3.ClH/c1-22(16-7-3-2-4-8-16)10-11-23-19-13-18(25-21-19)14-24-17-9-5-6-15(20)12-17;/h5-6,9,12-13,16H,2-4,7-8,10-11,14H2,1H3;1H.
What are the key properties of N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride has a molecular weight of 384.88 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride is sourced from PubChem (CID 155535240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).