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

C22H23FN4O3 — CID 9271136

IUPAC3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)c1C
InChIInChI=1S/C22H23FN4O3/c1-15-4-3-5-19(16(15)2)25-10-12-26(13-11-25)20(28)14-27-22(29)30-21(24-27)17-6-8-18(23)9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyRDINWORKOZZGGM-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.61
Rot. Bonds4

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

3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (PubChem CID 9271136) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
PubChem CID9271136
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
SMILESCc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)c1C
InChIInChI=1S/C22H23FN4O3/c1-15-4-3-5-19(16(15)2)25-10-12-26(13-11-25)20(28)14-27-22(29)30-21(24-27)17-6-8-18(23)9-7-17/h3-9H,10-14H2,1-2H3
InChIKeyRDINWORKOZZGGM-UHFFFAOYSA-N
XLogP2.61
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one with MolForge

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Related Compounds

5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 9255444
3-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 46448814
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-pyrrol-1-ylethanone
CID 5308589
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 9303406
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 27040316
5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one
CID 27040396
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688048
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 4910274
2-(4-acetylpiperazin-1-yl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one (CID 9271136) is 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is Cc1cccc(N2CCN(C(=O)Cn3nc(-c4ccc(F)cc4)oc3=O)CC2)c1C.
What is the InChIKey of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is RDINWORKOZZGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-15-4-3-5-19(16(15)2)25-10-12-26(13-11-25)20(28)14-27-22(29)30-21(24-27)17-6-8-18(23)9-7-17/h3-9H,10-14H2,1-2H3.
What are the key properties of 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one?
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 410.45 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 9271136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).