3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C20H17FN4O2 — CID 20869145

IUPAC3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3ccccc3F)=NO2)n(-c2ccccc2)n1
InChIInChI=1S/C20H17FN4O2/c1-13-11-19(25(23-13)14-7-3-2-4-8-14)22-20(26)18-12-17(24-27-18)15-9-5-6-10-16(15)21/h2-11,18H,12H2,1H3,(H,22,26)
InChIKeyYAXNSAABFNLGTL-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.45
Rot. Bonds4

About 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 20869145) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID20869145
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)C2CC(c3ccccc3F)=NO2)n(-c2ccccc2)n1
InChIInChI=1S/C20H17FN4O2/c1-13-11-19(25(23-13)14-7-3-2-4-8-14)22-20(26)18-12-17(24-27-18)15-9-5-6-10-16(15)21/h2-11,18H,12H2,1H3,(H,22,26)
InChIKeyYAXNSAABFNLGTL-UHFFFAOYSA-N
XLogP3.45
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 20869145) is 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)C2CC(c3ccccc3F)=NO2)n(-c2ccccc2)n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YAXNSAABFNLGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13-11-19(25(23-13)14-7-3-2-4-8-14)22-20(26)18-12-17(24-27-18)15-9-5-6-10-16(15)21/h2-11,18H,12H2,1H3,(H,22,26).
What are the key properties of 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 20869145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).