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

C24H23FN4O3S — CID 30766111

IUPAC3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C24H23FN4O3S/c25-18-5-3-17(4-6-18)21-14-26-22(32-21)7-8-23(30)29-11-9-28(10-12-29)15-19-16-33-24(27-19)20-2-1-13-31-20/h1-6,13-14,16H,7-12,15H2
InChIKeyFRLFQDFFQSTCNP-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.47
Rot. Bonds7

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

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 30766111) has the molecular formula C24H23FN4O3S and a molecular weight of 466.54 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID30766111
Molecular FormulaC24H23FN4O3S
Molecular Weight466.54 g/mol
Exact Mass466.15
IUPAC Name3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(Cc2csc(-c3ccco3)n2)CC1
InChIInChI=1S/C24H23FN4O3S/c25-18-5-3-17(4-6-18)21-14-26-22(32-21)7-8-23(30)29-11-9-28(10-12-29)15-19-16-33-24(27-19)20-2-1-13-31-20/h1-6,13-14,16H,7-12,15H2
InChIKeyFRLFQDFFQSTCNP-UHFFFAOYSA-N
XLogP4.47
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one with MolForge

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Related Compounds

(2-Phenyl-1,3-benzoxazol-6-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840610
2-(2,4-Difluorophenyl)-5-methyl-4-{[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methyl}-1,3-oxazole
CID 16191257
2-(2-fluorobenzyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazole-6-carboxamide
CID 24790230
2-[2-(Furan-2-yl)-6-[4-(1,3-thiazol-2-yl)phenyl]-4-pyridinyl]-1,3-thiazole
CID 145983842
Myc-IN-2
CID 145985805
2-(4-methoxybenzyl)-N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24816935
2-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 18532307
(2-Fluorophenyl)(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)methanone
CID 30860537
2-(4-Fluorophenyl)-1-(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)ethanone
CID 30860549
N-(3-{5-methyl-4-[({[2-(methylthio)-1,3-thiazol-4-yl]carbonyl}amino)methyl]-1,3-oxazol-2-yl}phenyl)-2-pyridinecarboxamide
CID 42328230
5-(4-fluorophenyl)-N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)oxazole-2-carboxamide
CID 76145348
US12331044, Example 192
CID 155925146

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one (CID 30766111) is 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one is O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCN(Cc2csc(-c3ccco3)n2)CC1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is FRLFQDFFQSTCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3S/c25-18-5-3-17(4-6-18)21-14-26-22(32-21)7-8-23(30)29-11-9-28(10-12-29)15-19-16-33-24(27-19)20-2-1-13-31-20/h1-6,13-14,16H,7-12,15H2.
What are the key properties of 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one?
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 466.54 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 30766111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).