5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide

C22H17F3N4O3 — CID 172606532

IUPAC5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1
InChIInChI=1S/C22H17F3N4O3/c23-12-4-2-11(3-5-12)17-16(14-8-13(24)9-15(25)18(14)26-17)20-28-29-21(32-20)19(31)27-22(10-30)6-1-7-22/h2-5,8-9,26,30H,1,6-7,10H2,(H,27,31)
InChIKeyQJWYRYWOASCGCB-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.95
Rot. Bonds5

About 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide

5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 172606532) has the molecular formula C22H17F3N4O3 and a molecular weight of 442.40 g/mol. Its IUPAC name is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID172606532
Molecular FormulaC22H17F3N4O3
Molecular Weight442.40 g/mol
Exact Mass442.13
IUPAC Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide
SMILESO=C(NC1(CO)CCC1)c1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1
InChIInChI=1S/C22H17F3N4O3/c23-12-4-2-11(3-5-12)17-16(14-8-13(24)9-15(25)18(14)26-17)20-28-29-21(32-20)19(31)27-22(10-30)6-1-7-22/h2-5,8-9,26,30H,1,6-7,10H2,(H,27,31)
InChIKeyQJWYRYWOASCGCB-UHFFFAOYSA-N
XLogP3.95
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide (CID 172606532) is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide is O=C(NC1(CO)CCC1)c1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1.
What is the InChIKey of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QJWYRYWOASCGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3/c23-12-4-2-11(3-5-12)17-16(14-8-13(24)9-15(25)18(14)26-17)20-28-29-21(32-20)19(31)27-22(10-30)6-1-7-22/h2-5,8-9,26,30H,1,6-7,10H2,(H,27,31).
What are the key properties of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide?
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[1-(hydroxymethyl)cyclobutyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 172606532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).