5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole

C22H25NO3 — CID 515984

IUPAC5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1
InChIInChI=1S/C22H25NO3/c1-15-12-19(18-7-9-20(24-4)10-8-18)13-16(2)22(15)25-11-5-6-21-14-17(3)23-26-21/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyUSENBSHPIYEUGB-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.29
Rot. Bonds7

About 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole

5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole (PubChem CID 515984) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole
PubChem CID515984
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole
SMILESCOc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1
InChIInChI=1S/C22H25NO3/c1-15-12-19(18-7-9-20(24-4)10-8-18)13-16(2)22(15)25-11-5-6-21-14-17(3)23-26-21/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyUSENBSHPIYEUGB-UHFFFAOYSA-N
XLogP5.29
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
7-(5-Cyclopropyl-isoxazol-3-ylmethoxy)-3,4-dimethyl-chromen-2-one
CID 15066931
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-methylphenoxy)pentyl)-3-methyl-
CID 5271219
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(trifluoromethyl)phenoxy)pentyl)-3-methyl-
CID 5271225
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethylphenoxy)pentyl)-3-methyl-
CID 5271226
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(1-methylethyl)phenoxy)pentyl)-3-methyl-
CID 5271227
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-(2-propenyl)phenoxy)pentyl)-3-methyl-
CID 5271231
Isoxazole, 5-(5-(2-(difluoromethyl)-4-(4,5-dihydro-2-oxazolyl)phenoxy)pentyl)-3-methyl-
CID 5271235
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-ethenylphenoxy)pentyl)-3-methyl-
CID 5271239
5-[5-[4-(4,5-Dihydrooxazol-2-yl)-2,6-dimethyl-phenoxy]pentyl]-3-methyl-isoxazole
CID 5271684
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 145969097

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole (CID 515984) is 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole is COc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1.
What is the InChIKey of 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole?
The InChIKey is USENBSHPIYEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15-12-19(18-7-9-20(24-4)10-8-18)13-16(2)22(15)25-11-5-6-21-14-17(3)23-26-21/h7-10,12-14H,5-6,11H2,1-4H3.
What are the key properties of 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole?
5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole has a molecular weight of 351.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(4-methoxyphenyl)-2,6-dimethylphenoxy]propyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).