5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole

C17H17NO3 — CID 112797307

IUPAC5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole
SMILESCc1cc(COc2ccc3oc4c(c3c2)CCCC4)no1
InChIInChI=1S/C17H17NO3/c1-11-8-12(18-21-11)10-19-13-6-7-17-15(9-13)14-4-2-3-5-16(14)20-17/h6-9H,2-5,10H2,1H3
InChIKeyDPLNEZJVMZZPQM-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.19
Rot. Bonds3

About 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole

5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole (PubChem CID 112797307) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole
PubChem CID112797307
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole
SMILESCc1cc(COc2ccc3oc4c(c3c2)CCCC4)no1
InChIInChI=1S/C17H17NO3/c1-11-8-12(18-21-11)10-19-13-6-7-17-15(9-13)14-4-2-3-5-16(14)20-17/h6-9H,2-5,10H2,1H3
InChIKeyDPLNEZJVMZZPQM-UHFFFAOYSA-N
XLogP4.19
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole?
The IUPAC name of 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole (CID 112797307) is 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole?
The canonical SMILES for 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole is Cc1cc(COc2ccc3oc4c(c3c2)CCCC4)no1.
What is the InChIKey of 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole?
The InChIKey is DPLNEZJVMZZPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-8-12(18-21-11)10-19-13-6-7-17-15(9-13)14-4-2-3-5-16(14)20-17/h6-9H,2-5,10H2,1H3.
What are the key properties of 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole?
5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole has a molecular weight of 283.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(6,7,8,9-tetrahydrodibenzofuran-2-yloxymethyl)-1,2-oxazole is sourced from PubChem (CID 112797307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).