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

C16H16FN3O2 — CID 51137764

IUPACcyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C16H16FN3O2/c17-13-4-2-1-3-12(13)15-19-18-14(22-15)11-7-8-20(9-11)16(21)10-5-6-10/h1-4,10-11H,5-9H2/t11-/m0/s1
InChIKeyZSFVOAJHLKDHGO-NSHDSACASA-N
MW301.32 g/mol
LogP2.60
Rot. Bonds3

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

cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 51137764) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID51137764
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Namecyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1
InChIInChI=1S/C16H16FN3O2/c17-13-4-2-1-3-12(13)15-19-18-14(22-15)11-7-8-20(9-11)16(21)10-5-6-10/h1-4,10-11H,5-9H2/t11-/m0/s1
InChIKeyZSFVOAJHLKDHGO-NSHDSACASA-N
XLogP2.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 51137764) is cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC[C@H](c2nnc(-c3ccccc3F)o2)C1.
What is the InChIKey of cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is ZSFVOAJHLKDHGO-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-13-4-2-1-3-12(13)15-19-18-14(22-15)11-7-8-20(9-11)16(21)10-5-6-10/h1-4,10-11H,5-9H2/t11-/m0/s1.
What are the key properties of cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 301.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51137764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).