2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole

C24H28F3NO — CID 15007755

IUPAC2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1
InChIInChI=1S/C24H28F3NO/c1-2-3-4-5-6-7-8-10-17-13-14-18(21(27)15-17)22-16-29-24(28-22)23-19(25)11-9-12-20(23)26/h9,11-15,22H,2-8,10,16H2,1H3
InChIKeyLCJFSFZVIKPACG-UHFFFAOYSA-N
MW403.49 g/mol
LogP6.92
Rot. Bonds10

About 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15007755) has the molecular formula C24H28F3NO and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15007755
Molecular FormulaC24H28F3NO
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1
InChIInChI=1S/C24H28F3NO/c1-2-3-4-5-6-7-8-10-17-13-14-18(21(27)15-17)22-16-29-24(28-22)23-19(25)11-9-12-20(23)26/h9,11-15,22H,2-8,10,16H2,1H3
InChIKeyLCJFSFZVIKPACG-UHFFFAOYSA-N
XLogP6.92
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole (CID 15007755) is 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is LCJFSFZVIKPACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3NO/c1-2-3-4-5-6-7-8-10-17-13-14-18(21(27)15-17)22-16-29-24(28-22)23-19(25)11-9-12-20(23)26/h9,11-15,22H,2-8,10,16H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 403.49 g/mol, XLogP of 6.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-fluoro-4-nonylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).