[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone

C22H22FN3O3 — CID 162800213

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
SMILESCC(O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H22FN3O3/c1-15(27)21-19(20(24-29-21)16-5-3-2-4-6-16)22(28)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h2-10,15,27H,11-14H2,1H3
InChIKeyQLUNPUFVTAIKGA-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.50
Rot. Bonds4

About [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone

[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone (PubChem CID 162800213) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
PubChem CID162800213
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone
SMILESCC(O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H22FN3O3/c1-15(27)21-19(20(24-29-21)16-5-3-2-4-6-16)22(28)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h2-10,15,27H,11-14H2,1H3
InChIKeyQLUNPUFVTAIKGA-UHFFFAOYSA-N
XLogP3.50
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone with MolForge

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Related Compounds

[5-[(1S)-1-hydroxyethyl]-3-phenyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 100632764
1-[4-[3-(4-fluorophenyl)-5-(1-hydroxyethyl)-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 162913152
[3-(4-chlorophenyl)-5-(1-hydroxyethyl)-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 162793272
3-(4-fluorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carboxylic acid
CID 124878175
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
1-[4-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazole-4-carbonyl]piperazin-1-yl]ethanone
CID 124877442
[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162800210
N-[1-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 162822751
(4-benzylpiperazin-1-yl)-[5-(1-hydroxyethyl)-3-pyridin-3-yl-1,2-oxazol-4-yl]methanone
CID 162800298
[5-(1-hydroxyethyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]-morpholin-4-ylmethanone
CID 162846787
[4-(4-fluorophenyl)piperazin-1-yl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 50828762
(4-benzylpiperidin-1-yl)-[3-(4-chlorophenyl)-5-[(1S)-1-hydroxyethyl]-1,2-oxazol-4-yl]methanone
CID 100632464

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone (CID 162800213) is [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone is CC(O)c1onc(-c2ccccc2)c1C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone?
The InChIKey is QLUNPUFVTAIKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-15(27)21-19(20(24-29-21)16-5-3-2-4-6-16)22(28)26-13-11-25(12-14-26)18-9-7-17(23)8-10-18/h2-10,15,27H,11-14H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone has a molecular weight of 395.43 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-[5-(1-hydroxyethyl)-3-phenyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 162800213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).