4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole

C18H17NO2 — CID 112787327

IUPAC4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
SMILESCc1ccc(OCc2coc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H17NO2/c1-13-8-9-17(10-14(13)2)20-11-16-12-21-18(19-16)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
InChIKeyCVQUXJZPPVEBRZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.54
Rot. Bonds4

About 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole

4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole (PubChem CID 112787327) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
PubChem CID112787327
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
SMILESCc1ccc(OCc2coc(-c3ccccc3)n2)cc1C
InChIInChI=1S/C18H17NO2/c1-13-8-9-17(10-14(13)2)20-11-16-12-21-18(19-16)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3
InChIKeyCVQUXJZPPVEBRZ-UHFFFAOYSA-N
XLogP4.54
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
[3-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanamine
CID 106485084
4-[(4-nitrophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 18171386
4-[[4-(benzenesulfonyl)phenoxy]methyl]-2-(4-methylphenyl)-1,3-oxazole
CID 51117274
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-[(4-cyclobutylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 166351524
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
2-phenyl-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-oxazole
CID 18165684
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
4-(iodomethyl)-2-phenyl-1,3-oxazole
CID 15726804
methyl 4-phenyl-4-[[4-[(2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]butanoate
CID 54335741

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole?
The IUPAC name of 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole (CID 112787327) is 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole is Cc1ccc(OCc2coc(-c3ccccc3)n2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole?
The InChIKey is CVQUXJZPPVEBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-8-9-17(10-14(13)2)20-11-16-12-21-18(19-16)15-6-4-3-5-7-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole?
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole has a molecular weight of 279.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole is sourced from PubChem (CID 112787327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).