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

C19H27ClN2O3 — CID 155559835

IUPACN-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride
SMILESCN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1.Cl
InChIInChI=1S/C19H26N2O3.ClH/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17;/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3;1H
InChIKeyHINNLIOMVAVPKI-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.32
Rot. Bonds8

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

N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride (PubChem CID 155559835) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride
PubChem CID155559835
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC NameN-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride
SMILESCN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1.Cl
InChIInChI=1S/C19H26N2O3.ClH/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17;/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3;1H
InChIKeyHINNLIOMVAVPKI-UHFFFAOYSA-N
XLogP4.32
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride (CID 155559835) is N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride is CN(CCOc1cc(COc2ccccc2)on1)C1CCCCC1.Cl.
What is the InChIKey of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride?
The InChIKey is HINNLIOMVAVPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3.ClH/c1-21(16-8-4-2-5-9-16)12-13-22-19-14-18(24-20-19)15-23-17-10-6-3-7-11-17;/h3,6-7,10-11,14,16H,2,4-5,8-9,12-13,15H2,1H3;1H.
What are the key properties of N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride?
N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride has a molecular weight of 366.89 g/mol, XLogP of 4.32, 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]cyclohexanamine;hydrochloride is sourced from PubChem (CID 155559835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).