5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

C25H19F2N3O — CID 142505493

IUPAC5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESFC(F)(CN1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H19F2N3O/c26-25(27,16-29-14-20-7-3-4-8-21(20)15-29)23-22(28-24-30(23)11-12-31-24)19-10-9-17-5-1-2-6-18(17)13-19/h1-13H,14-16H2
InChIKeyZLZMSAJVLCJYMN-UHFFFAOYSA-N
MW415.44 g/mol
LogP5.86
Rot. Bonds4

About 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (PubChem CID 142505493) has the molecular formula C25H19F2N3O and a molecular weight of 415.44 g/mol. Its IUPAC name is 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
PubChem CID142505493
Molecular FormulaC25H19F2N3O
Molecular Weight415.44 g/mol
Exact Mass415.15
IUPAC Name5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESFC(F)(CN1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12
InChIInChI=1S/C25H19F2N3O/c26-25(27,16-29-14-20-7-3-4-8-21(20)15-29)23-22(28-24-30(23)11-12-31-24)19-10-9-17-5-1-2-6-18(17)13-19/h1-13H,14-16H2
InChIKeyZLZMSAJVLCJYMN-UHFFFAOYSA-N
XLogP5.86
TPSA33.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.44
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (CID 142505493) is 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is FC(F)(CN1Cc2ccccc2C1)c1c(-c2ccc3ccccc3c2)nc2occn12.
What is the InChIKey of 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The InChIKey is ZLZMSAJVLCJYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O/c26-25(27,16-29-14-20-7-3-4-8-21(20)15-29)23-22(28-24-30(23)11-12-31-24)19-10-9-17-5-1-2-6-18(17)13-19/h1-13H,14-16H2.
What are the key properties of 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole has a molecular weight of 415.44 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,3-dihydroisoindol-2-yl)-1,1-difluoroethyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 142505493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).