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

C19H18F2N4O2 — CID 35938781

IUPAC5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H18F2N4O2/c20-15-7-5-14(6-8-15)18-22-25(19(26)27-18)13-23-9-11-24(12-10-23)17-4-2-1-3-16(17)21/h1-8H,9-13H2
InChIKeyDDGVISFJPULRSW-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.56
Rot. Bonds4

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

5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one (PubChem CID 35938781) has the molecular formula C19H18F2N4O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
PubChem CID35938781
Molecular FormulaC19H18F2N4O2
Molecular Weight372.38 g/mol
Exact Mass372.14
IUPAC Name5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccc(F)cc2)nn1CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H18F2N4O2/c20-15-7-5-14(6-8-15)18-22-25(19(26)27-18)13-23-9-11-24(12-10-23)17-4-2-1-3-16(17)21/h1-8H,9-13H2
InChIKeyDDGVISFJPULRSW-UHFFFAOYSA-N
XLogP2.56
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.56
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
Benzyl 4-(2-fluorophenyl)piperazine-1-carboxylate
CID 54367338
Benzyl 4-(2,5-difluorophenyl)piperazine-1-carboxylate
CID 70652254
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-phenylpiperazine-1-carboxamide
CID 171831839
4-methyl-N-[[4-[2-methyl-2-(trifluoromethyl)-3H-1,3,4-oxadiazol-5-yl]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 174356930
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one (CID 35938781) is 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccc(F)cc2)nn1CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
The InChIKey is DDGVISFJPULRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2/c20-15-7-5-14(6-8-15)18-22-25(19(26)27-18)13-23-9-11-24(12-10-23)17-4-2-1-3-16(17)21/h1-8H,9-13H2.
What are the key properties of 5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one has a molecular weight of 372.38 g/mol, XLogP of 2.56, 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-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 35938781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).