2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole

C26H25FN2O — CID 10573077

IUPAC2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(F)c2-c2cccc3c2N(Cc2ccccc2)CC3)=N1
InChIInChI=1S/C26H25FN2O/c1-26(2)17-30-25(28-26)21-12-7-13-22(27)23(21)20-11-6-10-19-14-15-29(24(19)20)16-18-8-4-3-5-9-18/h3-13H,14-17H2,1-2H3
InChIKeyBMPQFMPYNBNPPB-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.61
Rot. Bonds4

About 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10573077) has the molecular formula C26H25FN2O and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10573077
Molecular FormulaC26H25FN2O
Molecular Weight400.50 g/mol
Exact Mass400.20
IUPAC Name2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2cccc(F)c2-c2cccc3c2N(Cc2ccccc2)CC3)=N1
InChIInChI=1S/C26H25FN2O/c1-26(2)17-30-25(28-26)21-12-7-13-22(27)23(21)20-11-6-10-19-14-15-29(24(19)20)16-18-8-4-3-5-9-18/h3-13H,14-17H2,1-2H3
InChIKeyBMPQFMPYNBNPPB-UHFFFAOYSA-N
XLogP5.61
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 10573077) is 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2cccc(F)c2-c2cccc3c2N(Cc2ccccc2)CC3)=N1.
What is the InChIKey of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is BMPQFMPYNBNPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN2O/c1-26(2)17-30-25(28-26)21-12-7-13-22(27)23(21)20-11-6-10-19-14-15-29(24(19)20)16-18-8-4-3-5-9-18/h3-13H,14-17H2,1-2H3.
What are the key properties of 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 400.50 g/mol, XLogP of 5.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzyl-2,3-dihydroindol-7-yl)-3-fluorophenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10573077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).