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

C19H19Cl2NO3 — CID 515426

IUPAC5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3ccco3)cc2Cl)on1
InChIInChI=1S/C19H19Cl2NO3/c1-13-10-15(25-22-13)6-3-2-4-8-24-19-16(20)11-14(12-17(19)21)18-7-5-9-23-18/h5,7,9-12H,2-4,6,8H2,1H3
InChIKeyCCSNBWHEWTVRHT-UHFFFAOYSA-N
MW380.27 g/mol
LogP6.34
Rot. Bonds8

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

5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 515426) has the molecular formula C19H19Cl2NO3 and a molecular weight of 380.27 g/mol. Its IUPAC name is 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID515426
Molecular FormulaC19H19Cl2NO3
Molecular Weight380.27 g/mol
Exact Mass379.07
IUPAC Name5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2c(Cl)cc(-c3ccco3)cc2Cl)on1
InChIInChI=1S/C19H19Cl2NO3/c1-13-10-15(25-22-13)6-3-2-4-8-24-19-16(20)11-14(12-17(19)21)18-7-5-9-23-18/h5,7,9-12H,2-4,6,8H2,1H3
InChIKeyCCSNBWHEWTVRHT-UHFFFAOYSA-N
XLogP6.34
TPSA48.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 56.34
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-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 515426) is 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2c(Cl)cc(-c3ccco3)cc2Cl)on1.
What is the InChIKey of 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is CCSNBWHEWTVRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO3/c1-13-10-15(25-22-13)6-3-2-4-8-24-19-16(20)11-14(12-17(19)21)18-7-5-9-23-18/h5,7,9-12H,2-4,6,8H2,1H3.
What are the key properties of 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 380.27 g/mol, XLogP of 6.34, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2,6-dichloro-4-(furan-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 515426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).