2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole

C24H19F5N2O3 — CID 18755920

IUPAC2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCOc1cc(-c2ccc(OC(F)(F)CF)nc2)ccc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C24H19F5N2O3/c1-2-32-20-10-14(15-7-9-21(30-11-15)34-24(28,29)13-25)6-8-16(20)19-12-33-23(31-19)22-17(26)4-3-5-18(22)27/h3-11,19H,2,12-13H2,1H3
InChIKeyBSPLAGVNHFDGLU-UHFFFAOYSA-N
MW478.42 g/mol
LogP5.88
Rot. Bonds8

About 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole

2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 18755920) has the molecular formula C24H19F5N2O3 and a molecular weight of 478.42 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID18755920
Molecular FormulaC24H19F5N2O3
Molecular Weight478.42 g/mol
Exact Mass478.13
IUPAC Name2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCCOc1cc(-c2ccc(OC(F)(F)CF)nc2)ccc1C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C24H19F5N2O3/c1-2-32-20-10-14(15-7-9-21(30-11-15)34-24(28,29)13-25)6-8-16(20)19-12-33-23(31-19)22-17(26)4-3-5-18(22)27/h3-11,19H,2,12-13H2,1H3
InChIKeyBSPLAGVNHFDGLU-UHFFFAOYSA-N
XLogP5.88
TPSA52.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.42
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 18755920) is 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole is CCOc1cc(-c2ccc(OC(F)(F)CF)nc2)ccc1C1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is BSPLAGVNHFDGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5N2O3/c1-2-32-20-10-14(15-7-9-21(30-11-15)34-24(28,29)13-25)6-8-16(20)19-12-33-23(31-19)22-17(26)4-3-5-18(22)27/h3-11,19H,2,12-13H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole?
2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 478.42 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[2-ethoxy-4-[6-(1,1,2-trifluoroethoxy)-3-pyridinyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 18755920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).