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

C26H19F2N3O2 — CID 126494850

IUPAC4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C26H19F2N3O2/c27-19-7-3-5-16(13-19)23-24(17-6-4-8-20(28)14-17)33-26(31-23)25(32)29-12-11-18-15-30-22-10-2-1-9-21(18)22/h1-10,13-15,30H,11-12H2,(H,29,32)
InChIKeyFWOSLUSMEZMCPA-UHFFFAOYSA-N
MW443.45 g/mol
LogP5.74
Rot. Bonds6

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

4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide (PubChem CID 126494850) has the molecular formula C26H19F2N3O2 and a molecular weight of 443.45 g/mol. Its IUPAC name is 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
PubChem CID126494850
Molecular FormulaC26H19F2N3O2
Molecular Weight443.45 g/mol
Exact Mass443.14
IUPAC Name4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C26H19F2N3O2/c27-19-7-3-5-16(13-19)23-24(17-6-4-8-20(28)14-17)33-26(31-23)25(32)29-12-11-18-15-30-22-10-2-1-9-21(18)22/h1-10,13-15,30H,11-12H2,(H,29,32)
InChIKeyFWOSLUSMEZMCPA-UHFFFAOYSA-N
XLogP5.74
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.45
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
The IUPAC name of 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide (CID 126494850) is 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
The InChIKey is FWOSLUSMEZMCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N3O2/c27-19-7-3-5-16(13-19)23-24(17-6-4-8-20(28)14-17)33-26(31-23)25(32)29-12-11-18-15-30-22-10-2-1-9-21(18)22/h1-10,13-15,30H,11-12H2,(H,29,32).
What are the key properties of 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide?
4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide has a molecular weight of 443.45 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 126494850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).