3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide

C24H20F3N3O2 — CID 156816423

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)on1
InChIInChI=1S/C24H20F3N3O2/c1-12-6-18(32-30-12)11-28-24(31)15-7-14(8-15)21-19-9-17(26)10-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-6,9-10,14-15,29H,7-8,11H2,1H3,(H,28,31)
InChIKeyWBGSIOCXANAWFX-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.36
Rot. Bonds5

About 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 156816423) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide
PubChem CID156816423
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)on1
InChIInChI=1S/C24H20F3N3O2/c1-12-6-18(32-30-12)11-28-24(31)15-7-14(8-15)21-19-9-17(26)10-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-6,9-10,14-15,29H,7-8,11H2,1H3,(H,28,31)
InChIKeyWBGSIOCXANAWFX-UHFFFAOYSA-N
XLogP5.36
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide (CID 156816423) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide is Cc1cc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)on1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is WBGSIOCXANAWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-12-6-18(32-30-12)11-28-24(31)15-7-14(8-15)21-19-9-17(26)10-20(27)23(19)29-22(21)13-2-4-16(25)5-3-13/h2-6,9-10,14-15,29H,7-8,11H2,1H3,(H,28,31).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 156816423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).