4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine

C22H24N2O4 — CID 54580437

IUPAC4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCOCC2)c1
InChIInChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3
InChIKeyVQVFYTGPIKXWMZ-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.73
Rot. Bonds7

About 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine

4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine (PubChem CID 54580437) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine
PubChem CID54580437
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine
SMILESCOc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCOCC2)c1
InChIInChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3
InChIKeyVQVFYTGPIKXWMZ-UHFFFAOYSA-N
XLogP3.73
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Abaperidone
CID 3037308
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-4-oxo-4H-chromene-3-carboxylic acid
CID 9892291
7-[(E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enoxy]-4-methylchromen-2-one
CID 57334255
7-[4-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butoxy]-3,4-dimethylchromen-2-one
CID 71681209
5-Hydroxy-2-(4-methoxyphenyl)-7-(4-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)chroman-4-one (7g)
CID 126961577
N-ethyl-5-(5-ethyl-2,4-dimethoxyphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24768322
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009
Ethanone, 1-(5-(4,5-dihydro-2-oxazolyl)-2-((5-(3-methyl-5-isoxazolyl)pentyl)oxy)phenyl)-
CID 5271232
6-Methoxy-3-(2-(1-(phenylmethyl)-4-piperidinyl)ethyl)-1,2-benzisoxazole
CID 9798502
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-3-methoxymethyl-chromen-4-one
CID 9804562
7-{3-[4-(6-Fluoro-benzo[d]isoxazol-3-yl)-piperidin-1-yl]-propoxy}-chromen-4-one
CID 9823559
7-[3-[4-(6-Fluorobenzo[d]isoxazole-3-yl)piperidin-1-yl]propoxy]-2-(hydroxymethyl)-chromen-4-one
CID 9826827

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine (CID 54580437) is 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine is COc1ccc(-c2cc(-c3ccccc3)no2)c(OCCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine?
The InChIKey is VQVFYTGPIKXWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-25-18-7-8-19(21(15-18)27-14-11-24-9-12-26-13-10-24)22-16-20(23-28-22)17-5-3-2-4-6-17/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine?
4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine has a molecular weight of 380.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-methoxy-2-(3-phenyl-1,2-oxazol-5-yl)phenoxy]ethyl]morpholine is sourced from PubChem (CID 54580437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).