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

C15H17N3O3S — CID 9423857

IUPACN-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-10(2)21-15(16-9)22-8-14(20)18-13-6-4-12(5-7-13)17-11(3)19/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIYMFWRFFKMXAMU-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.98
Rot. Bonds5

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

N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 9423857) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID9423857
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1
InChIInChI=1S/C15H17N3O3S/c1-9-10(2)21-15(16-9)22-8-14(20)18-13-6-4-12(5-7-13)17-11(3)19/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyIYMFWRFFKMXAMU-UHFFFAOYSA-N
XLogP2.98
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 9423857) is N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is CC(=O)Nc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is IYMFWRFFKMXAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-9-10(2)21-15(16-9)22-8-14(20)18-13-6-4-12(5-7-13)17-11(3)19/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9423857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).