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

C20H12F3N5O3 — CID 149479325

IUPACN-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)cc1C(F)(F)F
InChIInChI=1S/C20H12F3N5O3/c21-20(22,23)15-6-12(3-4-13(15)8-24)10-28-11-14(9-25-28)26-19(29)16-7-18(31-27-16)17-2-1-5-30-17/h1-7,9,11H,10H2,(H,26,29)
InChIKeyZCXWXMUIXAAHBF-UHFFFAOYSA-N
MW427.34 g/mol
LogP4.32
Rot. Bonds5

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

N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 149479325) has the molecular formula C20H12F3N5O3 and a molecular weight of 427.34 g/mol. Its IUPAC name is N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID149479325
Molecular FormulaC20H12F3N5O3
Molecular Weight427.34 g/mol
Exact Mass427.09
IUPAC NameN-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
SMILESN#Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)cc1C(F)(F)F
InChIInChI=1S/C20H12F3N5O3/c21-20(22,23)15-6-12(3-4-13(15)8-24)10-28-11-14(9-25-28)26-19(29)16-7-18(31-27-16)17-2-1-5-30-17/h1-7,9,11H,10H2,(H,26,29)
InChIKeyZCXWXMUIXAAHBF-UHFFFAOYSA-N
XLogP4.32
TPSA109.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide (CID 149479325) is N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is N#Cc1ccc(Cn2cc(NC(=O)c3cc(-c4ccco4)on3)cn2)cc1C(F)(F)F.
What is the InChIKey of N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is ZCXWXMUIXAAHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O3/c21-20(22,23)15-6-12(3-4-13(15)8-24)10-28-11-14(9-25-28)26-19(29)16-7-18(31-27-16)17-2-1-5-30-17/h1-7,9,11H,10H2,(H,26,29).
What are the key properties of N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide?
N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 427.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-cyano-3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 149479325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).