N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide

C20H26N2O4S — CID 110419474

IUPACN-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCCCC3CCS(=O)(=O)C3)c(C)o2)c1
InChIInChI=1S/C20H26N2O4S/c1-14-5-3-7-17(11-14)20-22-18(15(2)26-20)12-19(23)21-9-4-6-16-8-10-27(24,25)13-16/h3,5,7,11,16H,4,6,8-10,12-13H2,1-2H3,(H,21,23)
InChIKeyPJCZDDRACCIUBI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.83
Rot. Bonds7

About N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide

N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide (PubChem CID 110419474) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
PubChem CID110419474
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC NameN-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCCCC3CCS(=O)(=O)C3)c(C)o2)c1
InChIInChI=1S/C20H26N2O4S/c1-14-5-3-7-17(11-14)20-22-18(15(2)26-20)12-19(23)21-9-4-6-16-8-10-27(24,25)13-16/h3,5,7,11,16H,4,6,8-10,12-13H2,1-2H3,(H,21,23)
InChIKeyPJCZDDRACCIUBI-UHFFFAOYSA-N
XLogP2.83
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110610688
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-(3-fluorophenyl)acetamide
CID 110664939
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-(4-acetamidobutyl)-2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]acetamide
CID 110417936
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-pentylacetamide
CID 46529017
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
N-[3-(1,1-dioxothiolan-3-yl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619727
N-(2,4-dimethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422962
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110371797

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The IUPAC name of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide (CID 110419474) is N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide.
What is the SMILES notation for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The canonical SMILES for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide is Cc1cccc(-c2nc(CC(=O)NCCCC3CCS(=O)(=O)C3)c(C)o2)c1.
What is the InChIKey of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
The InChIKey is PJCZDDRACCIUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-14-5-3-7-17(11-14)20-22-18(15(2)26-20)12-19(23)21-9-4-6-16-8-10-27(24,25)13-16/h3,5,7,11,16H,4,6,8-10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide?
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide is sourced from PubChem (CID 110419474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).