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

C21H20FN3O3 — CID 20867413

IUPAC(4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H20FN3O3/c1-27-18-5-3-2-4-17(18)20-24-23-19(28-20)14-10-12-25(13-11-14)21(26)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyKDHYUZKLDCTRAW-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.90
Rot. Bonds4

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

(4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 20867413) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
PubChem CID20867413
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1
InChIInChI=1S/C21H20FN3O3/c1-27-18-5-3-2-4-17(18)20-24-23-19(28-20)14-10-12-25(13-11-14)21(26)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3
InChIKeyKDHYUZKLDCTRAW-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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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 20867413) is (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)o1.
What is the InChIKey of (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is KDHYUZKLDCTRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-27-18-5-3-2-4-17(18)20-24-23-19(28-20)14-10-12-25(13-11-14)21(26)15-6-8-16(22)9-7-15/h2-9,14H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]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-fluorophenyl)-[4-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 20867413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).