1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone

C20H23NO4 — CID 5273082

IUPAC1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CCCCCOc2ccc(C3=NCCO3)cc2)o1
InChIInChI=1S/C20H23NO4/c1-15(22)19-11-10-18(25-19)5-3-2-4-13-23-17-8-6-16(7-9-17)20-21-12-14-24-20/h6-11H,2-5,12-14H2,1H3
InChIKeyDVMXZMVBNUPILZ-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.05
Rot. Bonds9

About 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone

1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone (PubChem CID 5273082) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone
PubChem CID5273082
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone
SMILESCC(=O)c1ccc(CCCCCOc2ccc(C3=NCCO3)cc2)o1
InChIInChI=1S/C20H23NO4/c1-15(22)19-11-10-18(25-19)5-3-2-4-13-23-17-8-6-16(7-9-17)20-21-12-14-24-20/h6-11H,2-5,12-14H2,1H3
InChIKeyDVMXZMVBNUPILZ-UHFFFAOYSA-N
XLogP4.05
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone?
The IUPAC name of 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone (CID 5273082) is 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone.
What is the SMILES notation for 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone?
The canonical SMILES for 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone is CC(=O)c1ccc(CCCCCOc2ccc(C3=NCCO3)cc2)o1.
What is the InChIKey of 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone?
The InChIKey is DVMXZMVBNUPILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-15(22)19-11-10-18(25-19)5-3-2-4-13-23-17-8-6-16(7-9-17)20-21-12-14-24-20/h6-11H,2-5,12-14H2,1H3.
What are the key properties of 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone?
1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone has a molecular weight of 341.41 g/mol, XLogP of 4.05, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]furan-2-yl]ethanone is sourced from PubChem (CID 5273082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).