N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide

C20H14F3N5O4 — CID 66928343

IUPACN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)n3)cn2)o1
InChIInChI=1S/C20H14F3N5O4/c1-11(29)15-6-5-13(32-15)9-28-8-12(7-25-28)26-19(30)17-18(31-10-24-17)14-3-2-4-16(27-14)20(21,22)23/h2-8,10H,9H2,1H3,(H,26,30)
InChIKeyYWPNIVFVVRFIRP-UHFFFAOYSA-N
MW445.36 g/mol
LogP4.05
Rot. Bonds6

About N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 66928343) has the molecular formula C20H14F3N5O4 and a molecular weight of 445.36 g/mol. Its IUPAC name is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide
PubChem CID66928343
Molecular FormulaC20H14F3N5O4
Molecular Weight445.36 g/mol
Exact Mass445.10
IUPAC NameN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)n3)cn2)o1
InChIInChI=1S/C20H14F3N5O4/c1-11(29)15-6-5-13(32-15)9-28-8-12(7-25-28)26-19(30)17-18(31-10-24-17)14-3-2-4-16(27-14)20(21,22)23/h2-8,10H,9H2,1H3,(H,26,30)
InChIKeyYWPNIVFVVRFIRP-UHFFFAOYSA-N
XLogP4.05
TPSA116.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.36
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide (CID 66928343) is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)n3)cn2)o1.
What is the InChIKey of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YWPNIVFVVRFIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O4/c1-11(29)15-6-5-13(32-15)9-28-8-12(7-25-28)26-19(30)17-18(31-10-24-17)14-3-2-4-16(27-14)20(21,22)23/h2-8,10H,9H2,1H3,(H,26,30).
What are the key properties of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide?
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 445.36 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-2-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66928343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).