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

C25H31F2NO2 — CID 15008050

IUPAC2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OC)c1
InChIInChI=1S/C25H31F2NO2/c1-3-4-5-6-7-8-9-11-18-14-15-19(23(16-18)29-2)22-17-30-25(28-22)24-20(26)12-10-13-21(24)27/h10,12-16,22H,3-9,11,17H2,1-2H3
InChIKeyAEQWTGBXWFJVBW-UHFFFAOYSA-N
MW415.52 g/mol
LogP6.78
Rot. Bonds11

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

2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 15008050) has the molecular formula C25H31F2NO2 and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID15008050
Molecular FormulaC25H31F2NO2
Molecular Weight415.52 g/mol
Exact Mass415.23
IUPAC Name2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OC)c1
InChIInChI=1S/C25H31F2NO2/c1-3-4-5-6-7-8-9-11-18-14-15-19(23(16-18)29-2)22-17-30-25(28-22)24-20(26)12-10-13-21(24)27/h10,12-16,22H,3-9,11,17H2,1-2H3
InChIKeyAEQWTGBXWFJVBW-UHFFFAOYSA-N
XLogP6.78
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-butyl-2-(oxiran-2-yl)phenyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 87141692
2-(2,6-difluorophenyl)-4-(2-ethoxy-4-iodophenyl)-4,5-dihydro-1,3-oxazole
CID 67655117
(4R)-4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 86310482
4-(4-butoxy-2,3,5,6-tetrafluorophenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 139794188
4-(3-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 138756508
4-[2-(4-butoxyphenoxy)ethyl]-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 19041140
4-hexyl-2-methoxyaniline
CID 70551686
4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
CID 90733301
2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 167550722
formamide;2-methoxy-1-methyl-4-pentylbenzene
CID 142217487
1-methoxy-3-nonadecylbenzene
CID 154507578
2-bromo-1-fluoro-4-undecylbenzene
CID 10958447

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole (CID 15008050) is 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole is CCCCCCCCCc1ccc(C2COC(c3c(F)cccc3F)=N2)c(OC)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is AEQWTGBXWFJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2NO2/c1-3-4-5-6-7-8-9-11-18-14-15-19(23(16-18)29-2)22-17-30-25(28-22)24-20(26)12-10-13-21(24)27/h10,12-16,22H,3-9,11,17H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 415.52 g/mol, XLogP of 6.78, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-(2-methoxy-4-nonylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15008050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).