3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

C26H24F2N4O2S — CID 24614519

IUPAC3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H24F2N4O2S/c27-20-7-4-8-21(28)25(20)22-15-29-23(34-22)9-10-24(33)32-13-11-31(12-14-32)16-19-17-35-26(30-19)18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2
InChIKeyVLLXAUZMBSLENE-UHFFFAOYSA-N
MW494.57 g/mol
LogP5.02
Rot. Bonds7

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 24614519) has the molecular formula C26H24F2N4O2S and a molecular weight of 494.57 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
PubChem CID24614519
Molecular FormulaC26H24F2N4O2S
Molecular Weight494.57 g/mol
Exact Mass494.16
IUPAC Name3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C26H24F2N4O2S/c27-20-7-4-8-21(28)25(20)22-15-29-23(34-22)9-10-24(33)32-13-11-31(12-14-32)16-19-17-35-26(30-19)18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2
InChIKeyVLLXAUZMBSLENE-UHFFFAOYSA-N
XLogP5.02
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.57
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one (CID 24614519) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is VLLXAUZMBSLENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2S/c27-20-7-4-8-21(28)25(20)22-15-29-23(34-22)9-10-24(33)32-13-11-31(12-14-32)16-19-17-35-26(30-19)18-5-2-1-3-6-18/h1-8,15,17H,9-14,16H2.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one?
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 494.57 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 24614519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).