5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine

C21H15F3N6O — CID 172606577

IUPAC5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCn1ccnc1CNc1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1
InChIInChI=1S/C21H15F3N6O/c1-30-7-6-25-16(30)10-26-21-29-28-20(31-21)17-14-8-13(23)9-15(24)19(14)27-18(17)11-2-4-12(22)5-3-11/h2-9,27H,10H2,1H3,(H,26,29)
InChIKeyCIODTOSLQOOFTQ-UHFFFAOYSA-N
MW424.39 g/mol
LogP4.65
Rot. Bonds5

About 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine

5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 172606577) has the molecular formula C21H15F3N6O and a molecular weight of 424.39 g/mol. Its IUPAC name is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID172606577
Molecular FormulaC21H15F3N6O
Molecular Weight424.39 g/mol
Exact Mass424.13
IUPAC Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCn1ccnc1CNc1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1
InChIInChI=1S/C21H15F3N6O/c1-30-7-6-25-16(30)10-26-21-29-28-20(31-21)17-14-8-13(23)9-15(24)19(14)27-18(17)11-2-4-12(22)5-3-11/h2-9,27H,10H2,1H3,(H,26,29)
InChIKeyCIODTOSLQOOFTQ-UHFFFAOYSA-N
XLogP4.65
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine 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-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine (CID 172606577) is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is Cn1ccnc1CNc1nnc(-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-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is CIODTOSLQOOFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N6O/c1-30-7-6-25-16(30)10-26-21-29-28-20(31-21)17-14-8-13(23)9-15(24)19(14)27-18(17)11-2-4-12(22)5-3-11/h2-9,27H,10H2,1H3,(H,26,29).
What are the key properties of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine?
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(1-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 424.39 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methylimidazol-2-yl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 172606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).