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

C17H22ClFN2O3 — CID 155569700

IUPACN-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride
SMILESCN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1.Cl
InChIInChI=1S/C17H21FN2O3.ClH/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15;/h2-4,9-10,13H,5-8,11-12H2,1H3;1H
InChIKeyBHMPIZBUHQYHSK-UHFFFAOYSA-N
MW356.83 g/mol
LogP3.54
Rot. Bonds9

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

N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride (PubChem CID 155569700) has the molecular formula C17H22ClFN2O3 and a molecular weight of 356.83 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride
PubChem CID155569700
Molecular FormulaC17H22ClFN2O3
Molecular Weight356.83 g/mol
Exact Mass356.13
IUPAC NameN-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride
SMILESCN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1.Cl
InChIInChI=1S/C17H21FN2O3.ClH/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15;/h2-4,9-10,13H,5-8,11-12H2,1H3;1H
InChIKeyBHMPIZBUHQYHSK-UHFFFAOYSA-N
XLogP3.54
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride (CID 155569700) is N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride is CN(CCOc1cc(COc2cccc(F)c2)on1)CC1CC1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride?
The InChIKey is BHMPIZBUHQYHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3.ClH/c1-20(11-13-5-6-13)7-8-21-17-10-16(23-19-17)12-22-15-4-2-3-14(18)9-15;/h2-4,9-10,13H,5-8,11-12H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride?
N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride has a molecular weight of 356.83 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 155569700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).