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

C20H21FN4O2 — CID 18125938

IUPAC5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCc1ccccc1N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1
InChIInChI=1S/C20H21FN4O2/c1-15-4-2-3-5-18(15)24-12-10-23(11-13-24)14-25-20(26)27-19(22-25)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3
InChIKeyPVATZSLZBRFVKT-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.73
Rot. Bonds4

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

5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 18125938) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID18125938
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESCc1ccccc1N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1
InChIInChI=1S/C20H21FN4O2/c1-15-4-2-3-5-18(15)24-12-10-23(11-13-24)14-25-20(26)27-19(22-25)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3
InChIKeyPVATZSLZBRFVKT-UHFFFAOYSA-N
XLogP2.73
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[4-(4-Fluorophenyl)piperazin-1-yl]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 155560722
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
N-ethyl-N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 17511501
5-(4-Fluorophenyl)-3-[[4-(3-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
CID 17434854
1-Methyl-6-(4-phenylpiperazin-1-yl)-4-[(3,4,5-trifluorophenyl)methoxy]pyrimidin-2-one
CID 121448461
N-[[4-[2-(difluoromethyl)-2,3-dihydro-1,3,4-oxadiazol-5-yl]-2-fluorophenyl]methyl]-4-methyl-N-(2-methylphenyl)piperazine-1-carboxamide
CID 171831848
5-(4-Fluorophenyl)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 8144062
5-(4-Fluorophenyl)-3-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 8144063
3-[[4-(4-Fluorophenyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CID 8145446
3-[[4-(4-Fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole-2-thione
CID 8145447
5-(4-Fluorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 8145480
5-(4-Fluorophenyl)-3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole-2-thione
CID 8145481

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one (CID 18125938) is 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one is Cc1ccccc1N1CCN(Cn2nc(-c3ccc(F)cc3)oc2=O)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is PVATZSLZBRFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-15-4-2-3-5-18(15)24-12-10-23(11-13-24)14-25-20(26)27-19(22-25)16-6-8-17(21)9-7-16/h2-9H,10-14H2,1H3.
What are the key properties of 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 368.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 18125938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).