(4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone

C16H15FN6O2 — CID 91892154

IUPAC(4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)cc4)C3)nn2)n1
InChIInChI=1S/C16H15FN6O2/c1-10-18-15(25-20-10)14-9-23(21-19-14)13-6-7-22(8-13)16(24)11-2-4-12(17)5-3-11/h2-5,9,13H,6-8H2,1H3
InChIKeyDVORCOBYIBRHJH-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.86
Rot. Bonds3

About (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone

(4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone (PubChem CID 91892154) has the molecular formula C16H15FN6O2 and a molecular weight of 342.33 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
PubChem CID91892154
Molecular FormulaC16H15FN6O2
Molecular Weight342.33 g/mol
Exact Mass342.12
IUPAC Name(4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone
SMILESCc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)cc4)C3)nn2)n1
InChIInChI=1S/C16H15FN6O2/c1-10-18-15(25-20-10)14-9-23(21-19-14)13-6-7-22(8-13)16(24)11-2-4-12(17)5-3-11/h2-5,9,13H,6-8H2,1H3
InChIKeyDVORCOBYIBRHJH-UHFFFAOYSA-N
XLogP1.86
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone (CID 91892154) is (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone is Cc1noc(-c2cn(C3CCN(C(=O)c4ccc(F)cc4)C3)nn2)n1.
What is the InChIKey of (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
The InChIKey is DVORCOBYIBRHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6O2/c1-10-18-15(25-20-10)14-9-23(21-19-14)13-6-7-22(8-13)16(24)11-2-4-12(17)5-3-11/h2-5,9,13H,6-8H2,1H3.
What are the key properties of (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone has a molecular weight of 342.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 91892154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).