N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C20H18N4O2S — CID 3239898

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C20H18N4O2S/c1-13-19(14(2)24(22-13)12-15-7-4-3-5-8-15)21-20(25)16-11-17(26-23-16)18-9-6-10-27-18/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyYIKQHDYRSJOHJF-UHFFFAOYSA-N
MW378.46 g/mol
LogP4.52
Rot. Bonds5

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3239898) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3239898
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C20H18N4O2S/c1-13-19(14(2)24(22-13)12-15-7-4-3-5-8-15)21-20(25)16-11-17(26-23-16)18-9-6-10-27-18/h3-11H,12H2,1-2H3,(H,21,25)
InChIKeyYIKQHDYRSJOHJF-UHFFFAOYSA-N
XLogP4.52
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3239898) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is YIKQHDYRSJOHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-13-19(14(2)24(22-13)12-15-7-4-3-5-8-15)21-20(25)16-11-17(26-23-16)18-9-6-10-27-18/h3-11H,12H2,1-2H3,(H,21,25).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 378.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3239898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).