2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole

C18H15F2NO3 — CID 141107601

IUPAC2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(OCC(F)F)oc2-c2ccccc2)cc1
InChIInChI=1S/C18H15F2NO3/c1-22-14-9-7-12(8-10-14)16-17(13-5-3-2-4-6-13)24-18(21-16)23-11-15(19)20/h2-10,15H,11H2,1H3
InChIKeyAWMALCGDTZNEJN-UHFFFAOYSA-N
MW331.32 g/mol
LogP4.66
Rot. Bonds6

About 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole

2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole (PubChem CID 141107601) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole
PubChem CID141107601
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Name2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole
SMILESCOc1ccc(-c2nc(OCC(F)F)oc2-c2ccccc2)cc1
InChIInChI=1S/C18H15F2NO3/c1-22-14-9-7-12(8-10-14)16-17(13-5-3-2-4-6-13)24-18(21-16)23-11-15(19)20/h2-10,15H,11H2,1H3
InChIKeyAWMALCGDTZNEJN-UHFFFAOYSA-N
XLogP4.66
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole (CID 141107601) is 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole is COc1ccc(-c2nc(OCC(F)F)oc2-c2ccccc2)cc1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole?
The InChIKey is AWMALCGDTZNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-22-14-9-7-12(8-10-14)16-17(13-5-3-2-4-6-13)24-18(21-16)23-11-15(19)20/h2-10,15H,11H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole?
2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole has a molecular weight of 331.32 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-(4-methoxyphenyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 141107601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).