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

C24H20F3N3O2 — CID 156815994

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1
InChIInChI=1S/C24H20F3N3O2/c1-12-10-28-20(32-12)11-29-24(31)15-6-14(7-15)21-18-8-17(26)9-19(27)23(18)30-22(21)13-2-4-16(25)5-3-13/h2-5,8-10,14-15,30H,6-7,11H2,1H3,(H,29,31)
InChIKeyPYBZCIXDDSTVFR-UHFFFAOYSA-N
MW439.44 g/mol
LogP5.36
Rot. Bonds5

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 156815994) 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-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide
PubChem CID156815994
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide
SMILESCc1cnc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1
InChIInChI=1S/C24H20F3N3O2/c1-12-10-28-20(32-12)11-29-24(31)15-6-14(7-15)21-18-8-17(26)9-19(27)23(18)30-22(21)13-2-4-16(25)5-3-13/h2-5,8-10,14-15,30H,6-7,11H2,1H3,(H,29,31)
InChIKeyPYBZCIXDDSTVFR-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-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide (CID 156815994) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide is Cc1cnc(CNC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1.
What is the InChIKey of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is PYBZCIXDDSTVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-12-10-28-20(32-12)11-29-24(31)15-6-14(7-15)21-18-8-17(26)9-19(27)23(18)30-22(21)13-2-4-16(25)5-3-13/h2-5,8-10,14-15,30H,6-7,11H2,1H3,(H,29,31).
What are the key properties of 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(5-methyl-1,3-oxazol-2-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-[(5-methyl-1,3-oxazol-2-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 156815994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).