3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole

C16H15NO3 — CID 112797314

IUPAC3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3ccco3)on2)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-5-6-14(12(2)8-11)19-10-13-9-16(20-17-13)15-4-3-7-18-15/h3-9H,10H2,1-2H3
InChIKeyFUKCDTZVRILZLE-UHFFFAOYSA-N
MW269.30 g/mol
LogP4.13
Rot. Bonds4

About 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole

3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole (PubChem CID 112797314) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
PubChem CID112797314
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
SMILESCc1ccc(OCc2cc(-c3ccco3)on2)c(C)c1
InChIInChI=1S/C16H15NO3/c1-11-5-6-14(12(2)8-11)19-10-13-9-16(20-17-13)15-4-3-7-18-15/h3-9H,10H2,1-2H3
InChIKeyFUKCDTZVRILZLE-UHFFFAOYSA-N
XLogP4.13
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The IUPAC name of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole (CID 112797314) is 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole.
What is the SMILES notation for 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The canonical SMILES for 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole is Cc1ccc(OCc2cc(-c3ccco3)on2)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
The InChIKey is FUKCDTZVRILZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-5-6-14(12(2)8-11)19-10-13-9-16(20-17-13)15-4-3-7-18-15/h3-9H,10H2,1-2H3.
What are the key properties of 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole?
3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole has a molecular weight of 269.30 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole is sourced from PubChem (CID 112797314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).