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

C18H17FN6O2 — CID 99757755

IUPAC[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C18H17FN6O2/c19-14-4-2-1-3-13(14)18(26)24-8-7-12(9-24)25-10-15(21-23-25)17-20-16(22-27-17)11-5-6-11/h1-4,10-12H,5-9H2/t12-/m1/s1
InChIKeyMMPOXCUJSIINFB-GFCCVEGCSA-N
MW368.37 g/mol
LogP2.43
Rot. Bonds4

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

[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone (PubChem CID 99757755) has the molecular formula C18H17FN6O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
PubChem CID99757755
Molecular FormulaC18H17FN6O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone
SMILESO=C(c1ccccc1F)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1
InChIInChI=1S/C18H17FN6O2/c19-14-4-2-1-3-13(14)18(26)24-8-7-12(9-24)25-10-15(21-23-25)17-20-16(22-27-17)11-5-6-11/h1-4,10-12H,5-9H2/t12-/m1/s1
InChIKeyMMPOXCUJSIINFB-GFCCVEGCSA-N
XLogP2.43
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The IUPAC name of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone (CID 99757755) is [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone.
What is the SMILES notation for [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The canonical SMILES for [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone is O=C(c1ccccc1F)N1CC[C@@H](n2cc(-c3nc(C4CC4)no3)nn2)C1.
What is the InChIKey of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone?
The InChIKey is MMPOXCUJSIINFB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17FN6O2/c19-14-4-2-1-3-13(14)18(26)24-8-7-12(9-24)25-10-15(21-23-25)17-20-16(22-27-17)11-5-6-11/h1-4,10-12H,5-9H2/t12-/m1/s1.
What are the key properties of [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone?
[(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone has a molecular weight of 368.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]pyrrolidin-1-yl]-(2-fluorophenyl)methanone is sourced from PubChem (CID 99757755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).