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

C23H18F3N3O2 — CID 156816115

IUPAC3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,3-oxazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1cnc(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1
InChIInChI=1S/C23H18F3N3O2/c1-11-10-27-23(31-11)29-22(30)14-6-13(7-14)19-17-8-16(25)9-18(26)21(17)28-20(19)12-2-4-15(24)5-3-12/h2-5,8-10,13-14,28H,6-7H2,1H3,(H,27,29,30)
InChIKeyMAPKNWARHNNJBF-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.68
Rot. Bonds4

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

3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,3-oxazol-2-yl)cyclobutane-1-carboxamide (PubChem CID 156816115) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 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)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)cyclobutane-1-carboxamide
PubChem CID156816115
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,3-oxazol-2-yl)cyclobutane-1-carboxamide
SMILESCc1cnc(NC(=O)C2CC(c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc34)C2)o1
InChIInChI=1S/C23H18F3N3O2/c1-11-10-27-23(31-11)29-22(30)14-6-13(7-14)19-17-8-16(25)9-18(26)21(17)28-20(19)12-2-4-15(24)5-3-12/h2-5,8-10,13-14,28H,6-7H2,1H3,(H,27,29,30)
InChIKeyMAPKNWARHNNJBF-UHFFFAOYSA-N
XLogP5.68
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.68
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)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)cyclobutane-1-carboxamide (CID 156816115) is 3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,3-oxazol-2-yl)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)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)cyclobutane-1-carboxamide is Cc1cnc(NC(=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)cyclobutane-1-carboxamide?
The InChIKey is MAPKNWARHNNJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-11-10-27-23(31-11)29-22(30)14-6-13(7-14)19-17-8-16(25)9-18(26)21(17)28-20(19)12-2-4-15(24)5-3-12/h2-5,8-10,13-14,28H,6-7H2,1H3,(H,27,29,30).
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)cyclobutane-1-carboxamide?
3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(5-methyl-1,3-oxazol-2-yl)cyclobutane-1-carboxamide has a molecular weight of 425.41 g/mol, XLogP of 5.68, 4 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)cyclobutane-1-carboxamide is sourced from PubChem (CID 156816115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).