2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

C22H19FN4O3 — CID 20906235

IUPAC2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)n(-c2ccccc2)n1
InChIInChI=1S/C22H19FN4O3/c1-15-11-21(27(25-15)19-5-3-2-4-6-19)24-22(28)14-29-13-18-12-20(30-26-18)16-7-9-17(23)10-8-16/h2-12H,13-14H2,1H3,(H,24,28)
InChIKeyBFLLMTKUPLILJG-UHFFFAOYSA-N
MW406.42 g/mol
LogP4.13
Rot. Bonds7

About 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide

2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (PubChem CID 20906235) has the molecular formula C22H19FN4O3 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
PubChem CID20906235
Molecular FormulaC22H19FN4O3
Molecular Weight406.42 g/mol
Exact Mass406.14
IUPAC Name2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)n(-c2ccccc2)n1
InChIInChI=1S/C22H19FN4O3/c1-15-11-21(27(25-15)19-5-3-2-4-6-19)24-22(28)14-29-13-18-12-20(30-26-18)16-7-9-17(23)10-8-16/h2-12H,13-14H2,1H3,(H,24,28)
InChIKeyBFLLMTKUPLILJG-UHFFFAOYSA-N
XLogP4.13
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide (CID 20906235) is 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)n(-c2ccccc2)n1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
The InChIKey is BFLLMTKUPLILJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O3/c1-15-11-21(27(25-15)19-5-3-2-4-6-19)24-22(28)14-29-13-18-12-20(30-26-18)16-7-9-17(23)10-8-16/h2-12H,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide?
2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide has a molecular weight of 406.42 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methoxy]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide is sourced from PubChem (CID 20906235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).