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

C21H18N4O4 — CID 66928485

IUPACN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)o1
InChIInChI=1S/C21H18N4O4/c1-13-4-3-5-15(8-13)20-19(22-12-28-20)21(27)24-16-9-23-25(10-16)11-17-6-7-18(29-17)14(2)26/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyLHSVUAGZCIQFIE-UHFFFAOYSA-N
MW390.40 g/mol
LogP3.94
Rot. Bonds6

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

N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 66928485) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID66928485
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)o1
InChIInChI=1S/C21H18N4O4/c1-13-4-3-5-15(8-13)20-19(22-12-28-20)21(27)24-16-9-23-25(10-16)11-17-6-7-18(29-17)14(2)26/h3-10,12H,11H2,1-2H3,(H,24,27)
InChIKeyLHSVUAGZCIQFIE-UHFFFAOYSA-N
XLogP3.94
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-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-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide (CID 66928485) is N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is CC(=O)c1ccc(Cn2cc(NC(=O)c3ncoc3-c3cccc(C)c3)cn2)o1.
What is the InChIKey of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is LHSVUAGZCIQFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c1-13-4-3-5-15(8-13)20-19(22-12-28-20)21(27)24-16-9-23-25(10-16)11-17-6-7-18(29-17)14(2)26/h3-10,12H,11H2,1-2H3,(H,24,27).
What are the key properties of N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66928485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).