5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole

C18H17NO2 — CID 1484372

IUPAC5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESCc1cccc(OCc2cc(-c3ccccc3)no2)c1C
InChIInChI=1S/C18H17NO2/c1-13-7-6-10-18(14(13)2)20-12-16-11-17(19-21-16)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeySCZIQQZVDVSYDZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.54
Rot. Bonds4

About 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole

5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole (PubChem CID 1484372) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole
PubChem CID1484372
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole
SMILESCc1cccc(OCc2cc(-c3ccccc3)no2)c1C
InChIInChI=1S/C18H17NO2/c1-13-7-6-10-18(14(13)2)20-12-16-11-17(19-21-16)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3
InChIKeySCZIQQZVDVSYDZ-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

5-[(4-Fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480817
3,4-Bis(4-methoxyphenyl)-5-methylisoxazole
CID 3954928
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-3-methylphenoxy)pentyl)-3-methyl-
CID 5271221
5-[3-(2,6-Dimethyl-4-phenyl-phenoxy)propyl]-3-methyl-isoxazole
CID 515980
5-[3-[2,6-Dimethyl-4-(m-tolyl)phenoxy]propyl]-3-methyl-isoxazole
CID 515981
5-[3-[2,6-Dimethyl-4-(p-tolyl)phenoxy]propyl]-3-methyl-isoxazole
CID 515982
5-[3-[4-(3-Methoxyphenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515983
5-[3-[4-(4-Methoxyphenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515984
3-[3,5-Dimethyl-4-[3-(3-methylisoxazol-5-yl)propoxy]phenyl]phenol
CID 515985
5-[3-[4-(2-Fluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515996
5-[3-[4-(3-Fluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515997
5-[3-[4-(4-Fluorophenyl)-2,6-dimethyl-phenoxy]propyl]-3-methyl-isoxazole
CID 515998

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole (CID 1484372) is 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole is Cc1cccc(OCc2cc(-c3ccccc3)no2)c1C.
What is the InChIKey of 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole?
The InChIKey is SCZIQQZVDVSYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-7-6-10-18(14(13)2)20-12-16-11-17(19-21-16)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3.
What are the key properties of 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole?
5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-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 5-[(2,3-dimethylphenoxy)methyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 1484372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).