2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

C23H24FN5O2S — CID 90184560

IUPAC2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)on1
InChIInChI=1S/C23H24FN5O2S/c1-14-9-18(31-28-14)11-25-20(30)10-17-13-32-22(27-17)19-12-26-29(23(2,3)4)21(19)15-5-7-16(24)8-6-15/h5-9,12-13H,10-11H2,1-4H3,(H,25,30)
InChIKeyFNPKNXYUYUPMLV-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.72
Rot. Bonds6

About 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide

2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 90184560) has the molecular formula C23H24FN5O2S and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID90184560
Molecular FormulaC23H24FN5O2S
Molecular Weight453.54 g/mol
Exact Mass453.16
IUPAC Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCc1cc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)on1
InChIInChI=1S/C23H24FN5O2S/c1-14-9-18(31-28-14)11-25-20(30)10-17-13-32-22(27-17)19-12-26-29(23(2,3)4)21(19)15-5-7-16(24)8-6-15/h5-9,12-13H,10-11H2,1-4H3,(H,25,30)
InChIKeyFNPKNXYUYUPMLV-UHFFFAOYSA-N
XLogP4.72
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide (CID 90184560) is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is Cc1cc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)on1.
What is the InChIKey of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is FNPKNXYUYUPMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2S/c1-14-9-18(31-28-14)11-25-20(30)10-17-13-32-22(27-17)19-12-26-29(23(2,3)4)21(19)15-5-7-16(24)8-6-15/h5-9,12-13H,10-11H2,1-4H3,(H,25,30).
What are the key properties of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide?
2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 453.54 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 90184560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).