5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole

C14H13FN4O — CID 154800311

IUPAC5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
SMILESFC1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCNC1
InChIInChI=1S/C14H13FN4O/c15-14(4-6-16-8-14)13-18-12(19-20-13)10-2-1-9-3-5-17-11(9)7-10/h1-3,5,7,16-17H,4,6,8H2
InChIKeyDRZQPQWNPFFAOJ-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.38
Rot. Bonds2

About 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole

5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole (PubChem CID 154800311) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
PubChem CID154800311
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole
SMILESFC1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCNC1
InChIInChI=1S/C14H13FN4O/c15-14(4-6-16-8-14)13-18-12(19-20-13)10-2-1-9-3-5-17-11(9)7-10/h1-3,5,7,16-17H,4,6,8H2
InChIKeyDRZQPQWNPFFAOJ-UHFFFAOYSA-N
XLogP2.38
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743319
5-(3-fluoropyrrolidin-3-yl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
CID 167780848
3-(1H-indol-6-yl)-1,2,4-oxadiazole-5-carboxamide
CID 42568930
3-(3-chloro-4-fluorophenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983391
3-(3-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 82810491
3-(3-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 115565653
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743243
3-(3-bromophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63144733
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950086
4-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889000
3-(1H-indol-6-yl)-5-[(2S,3S)-3-propan-2-yloxolan-2-yl]-1,2,4-oxadiazole
CID 126809801
3-(3-bromo-4-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106950718

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole (CID 154800311) is 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole is FC1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCNC1.
What is the InChIKey of 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
The InChIKey is DRZQPQWNPFFAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-14(4-6-16-8-14)13-18-12(19-20-13)10-2-1-9-3-5-17-11(9)7-10/h1-3,5,7,16-17H,4,6,8H2.
What are the key properties of 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole?
5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole has a molecular weight of 272.28 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropyrrolidin-3-yl)-3-(1H-indol-6-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154800311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).