3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide

C21H18F3N5O2 — CID 172606786

IUPAC3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1
InChIInChI=1S/C21H18F3N5O2/c1-25-16(30)7-8-29(2)21-28-27-20(31-21)17-14-9-13(23)10-15(24)19(14)26-18(17)11-3-5-12(22)6-4-11/h3-6,9-10,26H,7-8H2,1-2H3,(H,25,30)
InChIKeyHUXKVPRHYAYBQF-UHFFFAOYSA-N
MW429.40 g/mol
LogP3.87
Rot. Bonds6

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

3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide (PubChem CID 172606786) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
PubChem CID172606786
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1
InChIInChI=1S/C21H18F3N5O2/c1-25-16(30)7-8-29(2)21-28-27-20(31-21)17-14-9-13(23)10-15(24)19(14)26-18(17)11-3-5-12(22)6-4-11/h3-6,9-10,26H,7-8H2,1-2H3,(H,25,30)
InChIKeyHUXKVPRHYAYBQF-UHFFFAOYSA-N
XLogP3.87
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide (CID 172606786) is 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1.
What is the InChIKey of 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
The InChIKey is HUXKVPRHYAYBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-25-16(30)7-8-29(2)21-28-27-20(31-21)17-14-9-13(23)10-15(24)19(14)26-18(17)11-3-5-12(22)6-4-11/h3-6,9-10,26H,7-8H2,1-2H3,(H,25,30).
What are the key properties of 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide?
3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide has a molecular weight of 429.40 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 172606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).