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

C30H41F2NO — CID 15007780

IUPAC2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C30H41F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24-19-21-25(22-20-24)28-23-34-30(33-28)29-26(31)17-15-18-27(29)32/h15,17-22,28H,2-14,16,23H2,1H3
InChIKeyVOWBPLXCAGJVBF-UHFFFAOYSA-N
MW469.66 g/mol
LogP9.12
Rot. Bonds16

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

2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15007780) has the molecular formula C30H41F2NO and a molecular weight of 469.66 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15007780
Molecular FormulaC30H41F2NO
Molecular Weight469.66 g/mol
Exact Mass469.32
IUPAC Name2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C30H41F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24-19-21-25(22-20-24)28-23-34-30(33-28)29-26(31)17-15-18-27(29)32/h15,17-22,28H,2-14,16,23H2,1H3
InChIKeyVOWBPLXCAGJVBF-UHFFFAOYSA-N
XLogP9.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.66
LogP ≤ 59.12
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-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole (CID 15007780) is 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is VOWBPLXCAGJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41F2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24-19-21-25(22-20-24)28-23-34-30(33-28)29-26(31)17-15-18-27(29)32/h15,17-22,28H,2-14,16,23H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 469.66 g/mol, XLogP of 9.12, 16 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-(4-pentadecylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15007780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).