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

C19H13F3N4O3 — CID 146220499

IUPAC5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H13F3N4O3/c20-19(21,22)14-5-2-1-4-12(14)10-26-11-13(9-23-26)24-18(27)15-8-17(29-25-15)16-6-3-7-28-16/h1-9,11H,10H2,(H,24,27)
InChIKeyPMIOPVXBCNRQHK-UHFFFAOYSA-N
MW402.33 g/mol
LogP4.45
Rot. Bonds5

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

5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220499) has the molecular formula C19H13F3N4O3 and a molecular weight of 402.33 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220499
Molecular FormulaC19H13F3N4O3
Molecular Weight402.33 g/mol
Exact Mass402.09
IUPAC Name5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1
InChIInChI=1S/C19H13F3N4O3/c20-19(21,22)14-5-2-1-4-12(14)10-26-11-13(9-23-26)24-18(27)15-8-17(29-25-15)16-6-3-7-28-16/h1-9,11H,10H2,(H,24,27)
InChIKeyPMIOPVXBCNRQHK-UHFFFAOYSA-N
XLogP4.45
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220499) is 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccccc2C(F)(F)F)c1)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is PMIOPVXBCNRQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O3/c20-19(21,22)14-5-2-1-4-12(14)10-26-11-13(9-23-26)24-18(27)15-8-17(29-25-15)16-6-3-7-28-16/h1-9,11H,10H2,(H,24,27).
What are the key properties of 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 402.33 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[1-[[2-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).