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

C22H24F3NO — CID 15008032

IUPAC2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1
InChIInChI=1S/C22H24F3NO/c1-2-3-4-5-6-8-15-11-12-16(19(25)13-15)20-14-27-22(26-20)21-17(23)9-7-10-18(21)24/h7,9-13,20H,2-6,8,14H2,1H3
InChIKeyRIFVBVNDPQBXJC-UHFFFAOYSA-N
MW375.43 g/mol
LogP6.13
Rot. Bonds8

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

2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15008032) has the molecular formula C22H24F3NO and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15008032
Molecular FormulaC22H24F3NO
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1
InChIInChI=1S/C22H24F3NO/c1-2-3-4-5-6-8-15-11-12-16(19(25)13-15)20-14-27-22(26-20)21-17(23)9-7-10-18(21)24/h7,9-13,20H,2-6,8,14H2,1H3
InChIKeyRIFVBVNDPQBXJC-UHFFFAOYSA-N
XLogP6.13
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.43
LogP ≤ 56.13
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-heptylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole (CID 15008032) is 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(F)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RIFVBVNDPQBXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO/c1-2-3-4-5-6-8-15-11-12-16(19(25)13-15)20-14-27-22(26-20)21-17(23)9-7-10-18(21)24/h7,9-13,20H,2-6,8,14H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(2-fluoro-4-heptylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 375.43 g/mol, XLogP of 6.13, 8 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-heptylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15008032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).