5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole

C22H25NO2 — CID 515982

IUPAC5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole
SMILESCc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1
InChIInChI=1S/C22H25NO2/c1-15-7-9-19(10-8-15)20-12-16(2)22(17(3)13-20)24-11-5-6-21-14-18(4)23-25-21/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyCZZQIHRLIRTTSS-UHFFFAOYSA-N
MW335.45 g/mol
LogP5.59
Rot. Bonds6

About 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole

5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole (PubChem CID 515982) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole
PubChem CID515982
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC Name5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole
SMILESCc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1
InChIInChI=1S/C22H25NO2/c1-15-7-9-19(10-8-15)20-12-16(2)22(17(3)13-20)24-11-5-6-21-14-18(4)23-25-21/h7-10,12-14H,5-6,11H2,1-4H3
InChIKeyCZZQIHRLIRTTSS-UHFFFAOYSA-N
XLogP5.59
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(7-Methyl-2-oxochromen-4-yl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate
CID 2539745
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-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-(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
3-Methylphenyl 5-(3,4-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 16015759
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 145969097
2,2-Dideuterio-3-[4-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methoxy]phenyl]propanoic acid
CID 145970728
5-Ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
CID 153320917

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole (CID 515982) is 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole is Cc1ccc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)cc1.
What is the InChIKey of 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole?
The InChIKey is CZZQIHRLIRTTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-15-7-9-19(10-8-15)20-12-16(2)22(17(3)13-20)24-11-5-6-21-14-18(4)23-25-21/h7-10,12-14H,5-6,11H2,1-4H3.
What are the key properties of 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole?
5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole has a molecular weight of 335.45 g/mol, XLogP of 5.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2,6-dimethyl-4-(4-methylphenyl)phenoxy]propyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).