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

C21H20FN3O4 — CID 22221011

IUPAC3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H20FN3O4/c22-17-6-3-15(4-7-17)20-16(14-23-29-20)5-8-19(26)24-9-11-25(12-10-24)21(27)18-2-1-13-28-18/h1-4,6-7,13-14H,5,8-12H2
InChIKeyLRFFYRZJAYEYQV-UHFFFAOYSA-N
MW397.41 g/mol
LogP2.99
Rot. Bonds5

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

3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 22221011) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID22221011
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC Name3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C21H20FN3O4/c22-17-6-3-15(4-7-17)20-16(14-23-29-20)5-8-19(26)24-9-11-25(12-10-24)21(27)18-2-1-13-28-18/h1-4,6-7,13-14H,5,8-12H2
InChIKeyLRFFYRZJAYEYQV-UHFFFAOYSA-N
XLogP2.99
TPSA79.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 38910307
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
N-(4-fluorophenyl)-N-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 113126885
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021
3-[5-(4-bromophenyl)-1,2-oxazol-4-yl]-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 22221165
(3R)-3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyrrol-1-ylpropan-1-one
CID 92709241
3-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylpentan-1-one
CID 110355835
3-(2,4-difluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030134
N-(4-benzylpiperazin-1-yl)-3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]propanamide;2,2,2-trifluoroacetic acid
CID 22221461
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propan-1-one
CID 34470903
3-(azepan-1-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030070

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 22221011) is 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCc1cnoc1-c1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is LRFFYRZJAYEYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-17-6-3-15(4-7-17)20-16(14-23-29-20)5-8-19(26)24-9-11-25(12-10-24)21(27)18-2-1-13-28-18/h1-4,6-7,13-14H,5,8-12H2.
What are the key properties of 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 397.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 22221011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).