3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one

C24H26FN3O3 — CID 24595519

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C24H26FN3O3/c25-21-9-5-4-8-20(21)22-18-26-23(31-22)10-11-24(29)28-14-12-27(13-15-28)16-17-30-19-6-2-1-3-7-19/h1-9,18H,10-17H2
InChIKeySIILHVVIBVLBIW-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.64
Rot. Bonds8

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 24595519) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
PubChem CID24595519
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C24H26FN3O3/c25-21-9-5-4-8-20(21)22-18-26-23(31-22)10-11-24(29)28-14-12-27(13-15-28)16-17-30-19-6-2-1-3-7-19/h1-9,18H,10-17H2
InChIKeySIILHVVIBVLBIW-UHFFFAOYSA-N
XLogP3.64
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 134051824
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
[5-(2-fluorophenyl)furan-2-yl]-[4-(2-phenoxyethyl)piperazin-1-yl]methanone
CID 9467168
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134040089
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 43041691
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
CID 166305757
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 119248343
2-(2-fluorophenyl)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 78788994

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one (CID 24595519) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one is O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is SIILHVVIBVLBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c25-21-9-5-4-8-20(21)22-18-26-23(31-22)10-11-24(29)28-14-12-27(13-15-28)16-17-30-19-6-2-1-3-7-19/h1-9,18H,10-17H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 423.49 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24595519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).