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

C20H18FN3O3 — CID 51137789

IUPAC(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc([C@H]3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C20H18FN3O3/c1-26-17-8-4-13(5-9-17)18-22-23-19(27-18)15-10-11-24(12-15)20(25)14-2-6-16(21)7-3-14/h2-9,15H,10-12H2,1H3/t15-/m0/s1
InChIKeyCSMMKBFPQAKAFE-HNNXBMFYSA-N
MW367.38 g/mol
LogP3.51
Rot. Bonds4

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

(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (PubChem CID 51137789) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
PubChem CID51137789
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(-c2nnc([C@H]3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1
InChIInChI=1S/C20H18FN3O3/c1-26-17-8-4-13(5-9-17)18-22-23-19(27-18)15-10-11-24(12-15)20(25)14-2-6-16(21)7-3-14/h2-9,15H,10-12H2,1H3/t15-/m0/s1
InChIKeyCSMMKBFPQAKAFE-HNNXBMFYSA-N
XLogP3.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone (CID 51137789) is (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is COc1ccc(-c2nnc([C@H]3CCN(C(=O)c4ccc(F)cc4)C3)o2)cc1.
What is the InChIKey of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
The InChIKey is CSMMKBFPQAKAFE-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-26-17-8-4-13(5-9-17)18-22-23-19(27-18)15-10-11-24(12-15)20(25)14-2-6-16(21)7-3-14/h2-9,15H,10-12H2,1H3/t15-/m0/s1.
What are the key properties of (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone?
(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone has a molecular weight of 367.38 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 51137789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).