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

C20H14F3N5O2 — CID 146220677

IUPAC5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)16-6-7-24-9-14(16)11-28-12-15(10-25-28)26-19(29)17-8-18(30-27-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,26,29)
InChIKeyOXGGKSGJMQDQMY-UHFFFAOYSA-N
MW413.36 g/mol
LogP4.25
Rot. Bonds5

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

5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220677) has the molecular formula C20H14F3N5O2 and a molecular weight of 413.36 g/mol. Its IUPAC name is 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220677
Molecular FormulaC20H14F3N5O2
Molecular Weight413.36 g/mol
Exact Mass413.11
IUPAC Name5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H14F3N5O2/c21-20(22,23)16-6-7-24-9-14(16)11-28-12-15(10-25-28)26-19(29)17-8-18(30-27-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,26,29)
InChIKeyOXGGKSGJMQDQMY-UHFFFAOYSA-N
XLogP4.25
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220677) is 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OXGGKSGJMQDQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O2/c21-20(22,23)16-6-7-24-9-14(16)11-28-12-15(10-25-28)26-19(29)17-8-18(30-27-17)13-4-2-1-3-5-13/h1-10,12H,11H2,(H,26,29).
What are the key properties of 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 413.36 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).