4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide

C25H17F2N3O2 — CID 126494861

IUPAC4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C25H17F2N3O2/c26-18-7-3-5-15(11-18)22-23(16-6-4-8-19(27)12-16)32-25(30-22)24(31)29-14-17-13-28-21-10-2-1-9-20(17)21/h1-13,28H,14H2,(H,29,31)
InChIKeyYWSHSGCHQABJNQ-UHFFFAOYSA-N
MW429.43 g/mol
LogP5.70
Rot. Bonds5

About 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide

4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide (PubChem CID 126494861) has the molecular formula C25H17F2N3O2 and a molecular weight of 429.43 g/mol. Its IUPAC name is 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
PubChem CID126494861
Molecular FormulaC25H17F2N3O2
Molecular Weight429.43 g/mol
Exact Mass429.13
IUPAC Name4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1
InChIInChI=1S/C25H17F2N3O2/c26-18-7-3-5-15(11-18)22-23(16-6-4-8-19(27)12-16)32-25(30-22)24(31)29-14-17-13-28-21-10-2-1-9-20(17)21/h1-13,28H,14H2,(H,29,31)
InChIKeyYWSHSGCHQABJNQ-UHFFFAOYSA-N
XLogP5.70
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.43
LogP ≤ 55.70
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-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide (CID 126494861) is 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide is O=C(NCc1c[nH]c2ccccc12)c1nc(-c2cccc(F)c2)c(-c2cccc(F)c2)o1.
What is the InChIKey of 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
The InChIKey is YWSHSGCHQABJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F2N3O2/c26-18-7-3-5-15(11-18)22-23(16-6-4-8-19(27)12-16)32-25(30-22)24(31)29-14-17-13-28-21-10-2-1-9-20(17)21/h1-13,28H,14H2,(H,29,31).
What are the key properties of 4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide?
4,5-bis(3-fluorophenyl)-N-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide has a molecular weight of 429.43 g/mol, XLogP of 5.70, 5 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-(1H-indol-3-ylmethyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 126494861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).