N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide

C21H14F4N4O2 — CID 156596096

IUPACN-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H14F4N4O2/c22-15-6-7-17(21(23,24)25)14(8-15)11-29-12-16(10-26-29)27-20(30)18-9-19(31-28-18)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,27,30)
InChIKeyOCPXNEQXSYCXEE-UHFFFAOYSA-N
MW430.36 g/mol
LogP5.00
Rot. Bonds5

About N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 156596096) has the molecular formula C21H14F4N4O2 and a molecular weight of 430.36 g/mol. Its IUPAC name is N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID156596096
Molecular FormulaC21H14F4N4O2
Molecular Weight430.36 g/mol
Exact Mass430.11
IUPAC NameN-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C21H14F4N4O2/c22-15-6-7-17(21(23,24)25)14(8-15)11-29-12-16(10-26-29)27-20(30)18-9-19(31-28-18)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,27,30)
InChIKeyOCPXNEQXSYCXEE-UHFFFAOYSA-N
XLogP5.00
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.36
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 156596096) is N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cc(F)ccc2C(F)(F)F)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is OCPXNEQXSYCXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O2/c22-15-6-7-17(21(23,24)25)14(8-15)11-29-12-16(10-26-29)27-20(30)18-9-19(31-28-18)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,27,30).
What are the key properties of N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 430.36 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 156596096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).