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

C17H23ClN2O3 — CID 155550042

IUPACN-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCN(CCOc1cc(COc2ccccc2)on1)CC1CC1.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15;/h2-6,11,14H,7-10,12-13H2,1H3;1H
InChIKeyNFGGGYAGYQIJAW-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.40
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (PubChem CID 155550042) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
PubChem CID155550042
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
SMILESCN(CCOc1cc(COc2ccccc2)on1)CC1CC1.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15;/h2-6,11,14H,7-10,12-13H2,1H3;1H
InChIKeyNFGGGYAGYQIJAW-UHFFFAOYSA-N
XLogP3.40
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The IUPAC name of N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride (CID 155550042) is N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride.
What is the SMILES notation for N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The canonical SMILES for N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is CN(CCOc1cc(COc2ccccc2)on1)CC1CC1.Cl.
What is the InChIKey of N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
The InChIKey is NFGGGYAGYQIJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.ClH/c1-19(12-14-7-8-14)9-10-20-17-11-16(22-18-17)13-21-15-5-3-2-4-6-15;/h2-6,11,14H,7-10,12-13H2,1H3;1H.
What are the key properties of N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride?
N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 3.40, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride is sourced from PubChem (CID 155550042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).