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

C26H20F2N2O — CID 126495181

IUPAC4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1ccccc1-c1nc(CCCc2c[nH]c3ccccc23)oc1-c1ccccc1F
InChIInChI=1S/C26H20F2N2O/c27-21-12-4-1-10-19(21)25-26(20-11-2-5-13-22(20)28)31-24(30-25)15-7-8-17-16-29-23-14-6-3-9-18(17)23/h1-6,9-14,16,29H,7-8,15H2
InChIKeyHLJMTRVLKHWKFH-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.94
Rot. Bonds6

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

4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (PubChem CID 126495181) has the molecular formula C26H20F2N2O and a molecular weight of 414.46 g/mol. Its IUPAC name is 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
PubChem CID126495181
Molecular FormulaC26H20F2N2O
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1ccccc1-c1nc(CCCc2c[nH]c3ccccc23)oc1-c1ccccc1F
InChIInChI=1S/C26H20F2N2O/c27-21-12-4-1-10-19(21)25-26(20-11-2-5-13-22(20)28)31-24(30-25)15-7-8-17-16-29-23-14-6-3-9-18(17)23/h1-6,9-14,16,29H,7-8,15H2
InChIKeyHLJMTRVLKHWKFH-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(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (CID 126495181) is 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is Fc1ccccc1-c1nc(CCCc2c[nH]c3ccccc23)oc1-c1ccccc1F.
What is the InChIKey of 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The InChIKey is HLJMTRVLKHWKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O/c27-21-12-4-1-10-19(21)25-26(20-11-2-5-13-22(20)28)31-24(30-25)15-7-8-17-16-29-23-14-6-3-9-18(17)23/h1-6,9-14,16,29H,7-8,15H2.
What are the key properties of 4,5-bis(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
4,5-bis(2-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(2-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is sourced from PubChem (CID 126495181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).