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

C20H13F4N5O2 — CID 146220493

IUPAC5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C20H13F4N5O2/c21-16-4-2-1-3-14(16)18-7-17(28-31-18)19(30)27-13-9-26-29(11-13)10-12-8-25-6-5-15(12)20(22,23)24/h1-9,11H,10H2,(H,27,30)
InChIKeyJKNOZXQDFOTCGC-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.39
Rot. Bonds5

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

5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220493) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220493
Molecular FormulaC20H13F4N5O2
Molecular Weight431.35 g/mol
Exact Mass431.10
IUPAC Name5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cnccc2C(F)(F)F)c1)c1cc(-c2ccccc2F)on1
InChIInChI=1S/C20H13F4N5O2/c21-16-4-2-1-3-14(16)18-7-17(28-31-18)19(30)27-13-9-26-29(11-13)10-12-8-25-6-5-15(12)20(22,23)24/h1-9,11H,10H2,(H,27,30)
InChIKeyJKNOZXQDFOTCGC-UHFFFAOYSA-N
XLogP4.39
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220493) is 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-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(-c2ccccc2F)on1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is JKNOZXQDFOTCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c21-16-4-2-1-3-14(16)18-7-17(28-31-18)19(30)27-13-9-26-29(11-13)10-12-8-25-6-5-15(12)20(22,23)24/h1-9,11H,10H2,(H,27,30).
What are the key properties of 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 431.35 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).