(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone

C21H21FN4O2 — CID 42691959

IUPAC(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)no2)cc1
InChIInChI=1S/C21H21FN4O2/c1-15-2-4-16(5-3-15)20-23-19(24-28-20)14-25-10-12-26(13-11-25)21(27)17-6-8-18(22)9-7-17/h2-9H,10-14H2,1H3
InChIKeyYKZXSHLOKRYAPG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.14
Rot. Bonds4

About (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone (PubChem CID 42691959) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
PubChem CID42691959
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone
SMILESCc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)no2)cc1
InChIInChI=1S/C21H21FN4O2/c1-15-2-4-16(5-3-15)20-23-19(24-28-20)14-25-10-12-26(13-11-25)21(27)17-6-8-18(22)9-7-17/h2-9H,10-14H2,1H3
InChIKeyYKZXSHLOKRYAPG-UHFFFAOYSA-N
XLogP3.14
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.14
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-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone (CID 42691959) is (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone is Cc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(F)cc4)CC3)no2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is YKZXSHLOKRYAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-2-4-16(5-3-15)20-23-19(24-28-20)14-25-10-12-26(13-11-25)21(27)17-6-8-18(22)9-7-17/h2-9H,10-14H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 380.42 g/mol, XLogP of 3.14, 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-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42691959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).