4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole

C26H20F2N2O — CID 126495182

IUPAC4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2N2O/c27-20-12-8-17(9-13-20)25-26(18-10-14-21(28)15-11-18)31-24(30-25)7-3-4-19-16-29-23-6-2-1-5-22(19)23/h1-2,5-6,8-16,29H,3-4,7H2
InChIKeyZMFYAONPAWCESI-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.94
Rot. Bonds6

About 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole

4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (PubChem CID 126495182) has the molecular formula C26H20F2N2O and a molecular weight of 414.46 g/mol. Its IUPAC name is 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
PubChem CID126495182
Molecular FormulaC26H20F2N2O
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1ccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C26H20F2N2O/c27-20-12-8-17(9-13-20)25-26(18-10-14-21(28)15-11-18)31-24(30-25)7-3-4-19-16-29-23-6-2-1-5-22(19)23/h1-2,5-6,8-16,29H,3-4,7H2
InChIKeyZMFYAONPAWCESI-UHFFFAOYSA-N
XLogP6.94
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (CID 126495182) is 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is Fc1ccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The InChIKey is ZMFYAONPAWCESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O/c27-20-12-8-17(9-13-20)25-26(18-10-14-21(28)15-11-18)31-24(30-25)7-3-4-19-16-29-23-6-2-1-5-22(19)23/h1-2,5-6,8-16,29H,3-4,7H2.
What are the key properties of 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole has a molecular weight of 414.46 g/mol, XLogP of 6.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is sourced from PubChem (CID 126495182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).