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

C21H20FN3O3 — CID 99963249

IUPAC[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-16-8-6-15(7-9-16)21(26)25-12-10-14(11-13-25)19-23-24-20(28-19)17-4-2-3-5-18(17)22/h2-9,14H,10-13H2,1H3
InChIKeyFJSLZGJQUXEKPO-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.90
Rot. Bonds4

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

[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 99963249) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID99963249
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1
InChIInChI=1S/C21H20FN3O3/c1-27-16-8-6-15(7-9-16)21(26)25-12-10-14(11-13-25)19-23-24-20(28-19)17-4-2-3-5-18(17)22/h2-9,14H,10-13H2,1H3
InChIKeyFJSLZGJQUXEKPO-UHFFFAOYSA-N
XLogP3.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 90543078
1-[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-phenylethanone
CID 99963248
cyclopropyl-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615760
methyl 4-[4-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]benzoate
CID 46115400
(4-fluorophenyl)-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 99963299
1-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 132650199
1-[4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99963493
1-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 99964051
(4-methoxyphenyl)-[3-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90540104
(4-ethoxyphenyl)-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543080

Frequently Asked Questions

What is the IUPAC name of [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone (CID 99963249) is [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4F)o3)CC2)cc1.
What is the InChIKey of [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is FJSLZGJQUXEKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-16-8-6-15(7-9-16)21(26)25-12-10-14(11-13-25)19-23-24-20(28-19)17-4-2-3-5-18(17)22/h2-9,14H,10-13H2,1H3.
What are the key properties of [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone?
[4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 381.41 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 99963249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).