2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole

C15H18FN3O — CID 51137669

IUPAC2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C15H18FN3O/c1-10(2)19-8-7-11(9-19)14-17-18-15(20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyVSCIKWAZMIHZAP-NSHDSACASA-N
MW275.33 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 51137669) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID51137669
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESCC(C)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C15H18FN3O/c1-10(2)19-8-7-11(9-19)14-17-18-15(20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t11-/m0/s1
InChIKeyVSCIKWAZMIHZAP-NSHDSACASA-N
XLogP3.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole (CID 51137669) is 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole is CC(C)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is VSCIKWAZMIHZAP-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10(2)19-8-7-11(9-19)14-17-18-15(20-14)12-5-3-4-6-13(12)16/h3-6,10-11H,7-9H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 275.33 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[(3S)-1-propan-2-ylpyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 51137669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).