5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one

C21H18F3N5O2 — CID 172606507

IUPAC5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one
SMILESNc1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1.O=C1CCCCN1
InChIInChI=1S/C16H9F3N4O.C5H9NO/c17-8-3-1-7(2-4-8)13-12(15-22-23-16(20)24-15)10-5-9(18)6-11(19)14(10)21-13;7-5-3-1-2-4-6-5/h1-6,21H,(H2,20,23);1-4H2,(H,6,7)
InChIKeyDSCXQDRJPWMLJG-UHFFFAOYSA-N
MW429.40 g/mol
LogP4.17
Rot. Bonds2

About 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one

5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one (PubChem CID 172606507) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one.

Molecular Properties

Compound Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one
PubChem CID172606507
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one
SMILESNc1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1.O=C1CCCCN1
InChIInChI=1S/C16H9F3N4O.C5H9NO/c17-8-3-1-7(2-4-8)13-12(15-22-23-16(20)24-15)10-5-9(18)6-11(19)14(10)21-13;7-5-3-1-2-4-6-5/h1-6,21H,(H2,20,23);1-4H2,(H,6,7)
InChIKeyDSCXQDRJPWMLJG-UHFFFAOYSA-N
XLogP4.17
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one?
The IUPAC name of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one (CID 172606507) is 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one.
What is the SMILES notation for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one?
The canonical SMILES for 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one is Nc1nnc(-c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)o1.O=C1CCCCN1.
What is the InChIKey of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one?
The InChIKey is DSCXQDRJPWMLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4O.C5H9NO/c17-8-3-1-7(2-4-8)13-12(15-22-23-16(20)24-15)10-5-9(18)6-11(19)14(10)21-13;7-5-3-1-2-4-6-5/h1-6,21H,(H2,20,23);1-4H2,(H,6,7).
What are the key properties of 5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one?
5-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-1,3,4-oxadiazol-2-amine;piperidin-2-one has a molecular weight of 429.40 g/mol, XLogP of 4.17, 2 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]-1,3,4-oxadiazol-2-amine;piperidin-2-one is sourced from PubChem (CID 172606507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).