4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

C23H25FN4O4 — CID 86903869

IUPAC4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESCc1ccc(C(=O)N2CCN(CC(O)Cn3c(-c4ccccc4)noc3=O)CC2)cc1F
InChIInChI=1S/C23H25FN4O4/c1-16-7-8-18(13-20(16)24)22(30)27-11-9-26(10-12-27)14-19(29)15-28-21(25-32-23(28)31)17-5-3-2-4-6-17/h2-8,13,19,29H,9-12,14-15H2,1H3
InChIKeyCBYHLJYAXKXINS-UHFFFAOYSA-N
MW440.48 g/mol
LogP1.77
Rot. Bonds6

About 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one

4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (PubChem CID 86903869) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
PubChem CID86903869
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC Name4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
SMILESCc1ccc(C(=O)N2CCN(CC(O)Cn3c(-c4ccccc4)noc3=O)CC2)cc1F
InChIInChI=1S/C23H25FN4O4/c1-16-7-8-18(13-20(16)24)22(30)27-11-9-26(10-12-27)14-19(29)15-28-21(25-32-23(28)31)17-5-3-2-4-6-17/h2-8,13,19,29H,9-12,14-15H2,1H3
InChIKeyCBYHLJYAXKXINS-UHFFFAOYSA-N
XLogP1.77
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

[4-[3-[Benzyl(methyl)amino]-2-hydroxypropyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 86882565
4-[2-Hydroxy-3-[4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]propyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903897
4-[3-[4-(2,6-Difluorobenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903923
4-[3-[4-[1-(2,4-Difluorophenyl)ethyl]piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903929
3-fluoro-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,4-dimethylbenzamide
CID 111695311
2-fluoro-N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N,4-dimethylbenzamide
CID 112299521
3-[4-[1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 166355735
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]benzenecarboximidamide
CID 43592293
4-[3-[4-(3-Chlorobenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903773
4-[3-(4-Benzoylpiperazin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903783
4-[3-(4-Benzoylpiperidin-1-yl)-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903788
4-[3-[4-(4-Ethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 86903792

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one (CID 86903869) is 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is Cc1ccc(C(=O)N2CCN(CC(O)Cn3c(-c4ccccc4)noc3=O)CC2)cc1F.
What is the InChIKey of 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
The InChIKey is CBYHLJYAXKXINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-16-7-8-18(13-20(16)24)22(30)27-11-9-26(10-12-27)14-19(29)15-28-21(25-32-23(28)31)17-5-3-2-4-6-17/h2-8,13,19,29H,9-12,14-15H2,1H3.
What are the key properties of 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one?
4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one has a molecular weight of 440.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 86903869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).