5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole

C22H27NO3 — CID 5273097

IUPAC5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCCc1cc(-c2ccoc2)cc(C)c1OCCCCCc1cc(C)no1
InChIInChI=1S/C22H27NO3/c1-4-18-14-20(19-9-11-24-15-19)12-16(2)22(18)25-10-7-5-6-8-21-13-17(3)23-26-21/h9,11-15H,4-8,10H2,1-3H3
InChIKeyAXNJLPQOGLQNMA-UHFFFAOYSA-N
MW353.46 g/mol
LogP5.91
Rot. Bonds9

About 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole

5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5273097) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5273097
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCCc1cc(-c2ccoc2)cc(C)c1OCCCCCc1cc(C)no1
InChIInChI=1S/C22H27NO3/c1-4-18-14-20(19-9-11-24-15-19)12-16(2)22(18)25-10-7-5-6-8-21-13-17(3)23-26-21/h9,11-15H,4-8,10H2,1-3H3
InChIKeyAXNJLPQOGLQNMA-UHFFFAOYSA-N
XLogP5.91
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.46
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5273097) is 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole is CCc1cc(-c2ccoc2)cc(C)c1OCCCCCc1cc(C)no1.
What is the InChIKey of 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is AXNJLPQOGLQNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-4-18-14-20(19-9-11-24-15-19)12-16(2)22(18)25-10-7-5-6-8-21-13-17(3)23-26-21/h9,11-15H,4-8,10H2,1-3H3.
What are the key properties of 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 353.46 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-ethyl-4-(furan-3-yl)-6-methylphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5273097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).