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

C21H25NO3 — CID 5273095

IUPAC5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(-c3ccco3)cc2C)on1
InChIInChI=1S/C21H25NO3/c1-15-12-18(20-9-7-11-23-20)13-16(2)21(15)24-10-6-4-5-8-19-14-17(3)22-25-19/h7,9,11-14H,4-6,8,10H2,1-3H3
InChIKeyWEYYFURNQSORFT-UHFFFAOYSA-N
MW339.44 g/mol
LogP5.65
Rot. Bonds8

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

5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5273095) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5273095
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(C)cc(-c3ccco3)cc2C)on1
InChIInChI=1S/C21H25NO3/c1-15-12-18(20-9-7-11-23-20)13-16(2)21(15)24-10-6-4-5-8-19-14-17(3)22-25-19/h7,9,11-14H,4-6,8,10H2,1-3H3
InChIKeyWEYYFURNQSORFT-UHFFFAOYSA-N
XLogP5.65
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.44
LogP ≤ 55.65
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-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5273095) is 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(C)cc(-c3ccco3)cc2C)on1.
What is the InChIKey of 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is WEYYFURNQSORFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-15-12-18(20-9-7-11-23-20)13-16(2)21(15)24-10-6-4-5-8-19-14-17(3)22-25-19/h7,9,11-14H,4-6,8,10H2,1-3H3.
What are the key properties of 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 339.44 g/mol, XLogP of 5.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(furan-2-yl)-2,6-dimethylphenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5273095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).