4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride

C18H23ClN2O3 — CID 6448478

IUPAC4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride
SMILESCc1cc(/C=C/c2ccccc2OCCN2CCOCC2)on1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-15-14-17(23-19-15)7-6-16-4-2-3-5-18(16)22-13-10-20-8-11-21-12-9-20;/h2-7,14H,8-13H2,1H3;1H/b7-6+;
InChIKeyUUIWKHJXXKJRRU-UHDJGPCESA-N
MW350.85 g/mol
LogP3.29
Rot. Bonds6

About 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride

4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride (PubChem CID 6448478) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride
PubChem CID6448478
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride
SMILESCc1cc(/C=C/c2ccccc2OCCN2CCOCC2)on1.Cl
InChIInChI=1S/C18H22N2O3.ClH/c1-15-14-17(23-19-15)7-6-16-4-2-3-5-18(16)22-13-10-20-8-11-21-12-9-20;/h2-7,14H,8-13H2,1H3;1H/b7-6+;
InChIKeyUUIWKHJXXKJRRU-UHDJGPCESA-N
XLogP3.29
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride (CID 6448478) is 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride is Cc1cc(/C=C/c2ccccc2OCCN2CCOCC2)on1.Cl.
What is the InChIKey of 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride?
The InChIKey is UUIWKHJXXKJRRU-UHDJGPCESA-N. The full InChI is InChI=1S/C18H22N2O3.ClH/c1-15-14-17(23-19-15)7-6-16-4-2-3-5-18(16)22-13-10-20-8-11-21-12-9-20;/h2-7,14H,8-13H2,1H3;1H/b7-6+;.
What are the key properties of 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride?
4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethyl]morpholine;hydrochloride is sourced from PubChem (CID 6448478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).