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

C24H26FN5O2S — CID 130370716

IUPAC2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCc1cc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)on1
InChIInChI=1S/C24H26FN5O2S/c1-5-17-10-19(32-29-17)12-26-21(31)11-18-14-33-23(28-18)20-13-27-30(24(2,3)4)22(20)15-6-8-16(25)9-7-15/h6-10,13-14H,5,11-12H2,1-4H3,(H,26,31)
InChIKeyHXFXCWBSHKCCQS-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.98
Rot. Bonds7

About 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-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-ethyl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 130370716) has the molecular formula C24H26FN5O2S and a molecular weight of 467.57 g/mol. Its IUPAC name is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-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-ethyl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID130370716
Molecular FormulaC24H26FN5O2S
Molecular Weight467.57 g/mol
Exact Mass467.18
IUPAC Name2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCc1cc(CNC(=O)Cc2csc(-c3cnn(C(C)(C)C)c3-c3ccc(F)cc3)n2)on1
InChIInChI=1S/C24H26FN5O2S/c1-5-17-10-19(32-29-17)12-26-21(31)11-18-14-33-23(28-18)20-13-27-30(24(2,3)4)22(20)15-6-8-16(25)9-7-15/h6-10,13-14H,5,11-12H2,1-4H3,(H,26,31)
InChIKeyHXFXCWBSHKCCQS-UHFFFAOYSA-N
XLogP4.98
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.98
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-ethyl-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-ethyl-1,2-oxazol-5-yl)methyl]acetamide (CID 130370716) is 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-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-ethyl-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-ethyl-1,2-oxazol-5-yl)methyl]acetamide is CCc1cc(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-ethyl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is HXFXCWBSHKCCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S/c1-5-17-10-19(32-29-17)12-26-21(31)11-18-14-33-23(28-18)20-13-27-30(24(2,3)4)22(20)15-6-8-16(25)9-7-15/h6-10,13-14H,5,11-12H2,1-4H3,(H,26,31).
What are the key properties of 2-[2-[1-tert-butyl-5-(4-fluorophenyl)pyrazol-4-yl]-1,3-thiazol-4-yl]-N-[(3-ethyl-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-ethyl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 467.57 g/mol, XLogP of 4.98, 7 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-ethyl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 130370716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).