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

C19H19F2NO2 — CID 14853248

IUPAC4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C19H19F2NO2/c1-2-3-11-23-14-9-7-13(8-10-14)17-12-24-19(22-17)18-15(20)5-4-6-16(18)21/h4-10,17H,2-3,11-12H2,1H3
InChIKeyXWBAIEJNFKLPBH-UHFFFAOYSA-N
MW331.36 g/mol
LogP4.66
Rot. Bonds6

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

4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 14853248) has the molecular formula C19H19F2NO2 and a molecular weight of 331.36 g/mol. Its IUPAC name is 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
PubChem CID14853248
Molecular FormulaC19H19F2NO2
Molecular Weight331.36 g/mol
Exact Mass331.14
IUPAC Name4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
SMILESCCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1
InChIInChI=1S/C19H19F2NO2/c1-2-3-11-23-14-9-7-13(8-10-14)17-12-24-19(22-17)18-15(20)5-4-6-16(18)21/h4-10,17H,2-3,11-12H2,1H3
InChIKeyXWBAIEJNFKLPBH-UHFFFAOYSA-N
XLogP4.66
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 54.66
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole (CID 14853248) is 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is CCCCOc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1.
What is the InChIKey of 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is XWBAIEJNFKLPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO2/c1-2-3-11-23-14-9-7-13(8-10-14)17-12-24-19(22-17)18-15(20)5-4-6-16(18)21/h4-10,17H,2-3,11-12H2,1H3.
What are the key properties of 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole?
4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 331.36 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14853248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).