N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C22H20N4O2S — CID 24567225

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n(C)n1
InChIInChI=1S/C22H20N4O2S/c1-15-13-18(26(2)25-15)23-19(27)14-29-22-24-20(16-9-5-3-6-10-16)21(28-22)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyVUTKOPYVIRAVQX-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.78
Rot. Bonds6

About N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 24567225) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID24567225
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n(C)n1
InChIInChI=1S/C22H20N4O2S/c1-15-13-18(26(2)25-15)23-19(27)14-29-22-24-20(16-9-5-3-6-10-16)21(28-22)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3,(H,23,27)
InChIKeyVUTKOPYVIRAVQX-UHFFFAOYSA-N
XLogP4.78
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 24567225) is N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1cc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is VUTKOPYVIRAVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-13-18(26(2)25-15)23-19(27)14-29-22-24-20(16-9-5-3-6-10-16)21(28-22)17-11-7-4-8-12-17/h3-13H,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 404.50 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 24567225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).