3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide

C21H15F3N4O2 — CID 118392900

IUPAC3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cnoc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C21H15F3N4O2/c1-28-10-9-17(27-28)15-11-14(7-8-16(15)21(22,23)24)20(29)26-18-12-25-30-19(18)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29)
InChIKeyVTJYLZLZGCMAGK-UHFFFAOYSA-N
MW412.37 g/mol
LogP5.01
Rot. Bonds4

About 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide

3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392900) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392900
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3cnoc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C21H15F3N4O2/c1-28-10-9-17(27-28)15-11-14(7-8-16(15)21(22,23)24)20(29)26-18-12-25-30-19(18)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29)
InChIKeyVTJYLZLZGCMAGK-UHFFFAOYSA-N
XLogP5.01
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide (CID 118392900) is 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cnoc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is VTJYLZLZGCMAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c1-28-10-9-17(27-28)15-11-14(7-8-16(15)21(22,23)24)20(29)26-18-12-25-30-19(18)13-5-3-2-4-6-13/h2-12H,1H3,(H,26,29).
What are the key properties of 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide?
3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 412.37 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-N-(5-phenyl-1,2-oxazol-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).