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

C17H17NO3 — CID 112797313

IUPAC5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
SMILESCc1cc(C)c(C)c(OCc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C17H17NO3/c1-11-7-12(2)13(3)16(8-11)20-10-14-9-17(21-18-14)15-5-4-6-19-15/h4-9H,10H2,1-3H3
InChIKeyKCLKFCLANMGGFP-UHFFFAOYSA-N
MW283.33 g/mol
LogP4.44
Rot. Bonds4

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

5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole (PubChem CID 112797313) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
PubChem CID112797313
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
SMILESCc1cc(C)c(C)c(OCc2cc(-c3ccco3)on2)c1
InChIInChI=1S/C17H17NO3/c1-11-7-12(2)13(3)16(8-11)20-10-14-9-17(21-18-14)15-5-4-6-19-15/h4-9H,10H2,1-3H3
InChIKeyKCLKFCLANMGGFP-UHFFFAOYSA-N
XLogP4.44
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole (CID 112797313) is 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole is Cc1cc(C)c(C)c(OCc2cc(-c3ccco3)on2)c1.
What is the InChIKey of 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole?
The InChIKey is KCLKFCLANMGGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11-7-12(2)13(3)16(8-11)20-10-14-9-17(21-18-14)15-5-4-6-19-15/h4-9H,10H2,1-3H3.
What are the key properties of 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole?
5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole has a molecular weight of 283.33 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole is sourced from PubChem (CID 112797313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).