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

C19H26Cl2N2O3 — CID 155514271

IUPACN-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
SMILESCN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1.Cl
InChIInChI=1S/C19H25ClN2O3.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
InChIKeyISGCRDPDJYBZNC-UHFFFAOYSA-N
MW401.33 g/mol
LogP4.97
Rot. Bonds8

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

N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride (PubChem CID 155514271) has the molecular formula C19H26Cl2N2O3 and a molecular weight of 401.33 g/mol. Its IUPAC name is N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
PubChem CID155514271
Molecular FormulaC19H26Cl2N2O3
Molecular Weight401.33 g/mol
Exact Mass400.13
IUPAC NameN-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
SMILESCN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1.Cl
InChIInChI=1S/C19H25ClN2O3.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
InChIKeyISGCRDPDJYBZNC-UHFFFAOYSA-N
XLogP4.97
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.33
LogP ≤ 54.97
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-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
The IUPAC name of N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride (CID 155514271) is N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride.
What is the SMILES notation for N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
The canonical SMILES for N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride is CN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1.Cl.
What is the InChIKey of N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
The InChIKey is ISGCRDPDJYBZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3.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-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride?
N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride has a molecular weight of 401.33 g/mol, XLogP of 4.97, 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-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride is sourced from PubChem (CID 155514271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).