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

C26H20F2N2O — CID 126495180

IUPAC4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(F)c2)c1
InChIInChI=1S/C26H20F2N2O/c27-20-9-3-6-17(14-20)25-26(18-7-4-10-21(28)15-18)31-24(30-25)13-5-8-19-16-29-23-12-2-1-11-22(19)23/h1-4,6-7,9-12,14-16,29H,5,8,13H2
InChIKeyDAIZKYYIWXZHHZ-UHFFFAOYSA-N
MW414.46 g/mol
LogP6.94
Rot. Bonds6

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

4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (PubChem CID 126495180) has the molecular formula C26H20F2N2O and a molecular weight of 414.46 g/mol. Its IUPAC name is 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
PubChem CID126495180
Molecular FormulaC26H20F2N2O
Molecular Weight414.46 g/mol
Exact Mass414.15
IUPAC Name4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(F)c2)c1
InChIInChI=1S/C26H20F2N2O/c27-20-9-3-6-17(14-20)25-26(18-7-4-10-21(28)15-18)31-24(30-25)13-5-8-19-16-29-23-12-2-1-11-22(19)23/h1-4,6-7,9-12,14-16,29H,5,8,13H2
InChIKeyDAIZKYYIWXZHHZ-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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Related Compounds

CID 23647542
CID 23647542
CID 23647555
CID 23647555
CID 11751896
CID 11751896
CID 23647568
CID 23647568
CID 507819
CID 507819
CID 507881
CID 507881
CID 2227674
CID 2227674
CID 23647557
CID 23647557
CID 23647569
CID 23647569
CID 25023776
CID 25023776
CID 24816611
CID 24816611
CID 10445796
CID 10445796

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The IUPAC name of 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole (CID 126495180) is 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole.
What is the SMILES notation for 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The canonical SMILES for 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is Fc1cccc(-c2nc(CCCc3c[nH]c4ccccc34)oc2-c2cccc(F)c2)c1.
What is the InChIKey of 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
The InChIKey is DAIZKYYIWXZHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N2O/c27-20-9-3-6-17(14-20)25-26(18-7-4-10-21(28)15-18)31-24(30-25)13-5-8-19-16-29-23-12-2-1-11-22(19)23/h1-4,6-7,9-12,14-16,29H,5,8,13H2.
What are the key properties of 4,5-bis(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole?
4,5-bis(3-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(3-fluorophenyl)-2-[3-(1H-indol-3-yl)propyl]-1,3-oxazole is sourced from PubChem (CID 126495180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).