3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

C21H17F2N5O2 — CID 172606513

IUPAC3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCc1cc(F)c2[nH]c(-c3ccc(F)cc3)c(-c3nnc(NC4CCNC4=O)o3)c2c1
InChIInChI=1S/C21H17F2N5O2/c1-10-8-13-16(20-27-28-21(30-20)25-15-6-7-24-19(15)29)17(26-18(13)14(23)9-10)11-2-4-12(22)5-3-11/h2-5,8-9,15,26H,6-7H2,1H3,(H,24,29)(H,25,28)
InChIKeyOKMAJBHKPFVOQT-UHFFFAOYSA-N
MW409.40 g/mol
LogP3.77
Rot. Bonds4

About 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 172606513) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID172606513
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCc1cc(F)c2[nH]c(-c3ccc(F)cc3)c(-c3nnc(NC4CCNC4=O)o3)c2c1
InChIInChI=1S/C21H17F2N5O2/c1-10-8-13-16(20-27-28-21(30-20)25-15-6-7-24-19(15)29)17(26-18(13)14(23)9-10)11-2-4-12(22)5-3-11/h2-5,8-9,15,26H,6-7H2,1H3,(H,24,29)(H,25,28)
InChIKeyOKMAJBHKPFVOQT-UHFFFAOYSA-N
XLogP3.77
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 172606513) is 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is Cc1cc(F)c2[nH]c(-c3ccc(F)cc3)c(-c3nnc(NC4CCNC4=O)o3)c2c1.
What is the InChIKey of 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is OKMAJBHKPFVOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-10-8-13-16(20-27-28-21(30-20)25-15-6-7-24-19(15)29)17(26-18(13)14(23)9-10)11-2-4-12(22)5-3-11/h2-5,8-9,15,26H,6-7H2,1H3,(H,24,29)(H,25,28).
What are the key properties of 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 409.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[7-fluoro-2-(4-fluorophenyl)-5-methyl-1H-indol-3-yl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 172606513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).