N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide

C19H22N2O4S — CID 51124309

IUPACN-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-3-10-21(16-9-11-26(23,24)13-16)18(22)12-17-14(2)25-19(20-17)15-7-5-4-6-8-15/h3-8,16H,1,9-13H2,2H3
InChIKeySQNCWGCHLKPVHM-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.39
Rot. Bonds6

About N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide

N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide (PubChem CID 51124309) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide
PubChem CID51124309
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)C1CCS(=O)(=O)C1
InChIInChI=1S/C19H22N2O4S/c1-3-10-21(16-9-11-26(23,24)13-16)18(22)12-17-14(2)25-19(20-17)15-7-5-4-6-8-15/h3-8,16H,1,9-13H2,2H3
InChIKeySQNCWGCHLKPVHM-UHFFFAOYSA-N
XLogP2.39
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 110371797
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411840
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylbenzamide
CID 7476902
N-[(3R)-1,1-dioxothiolan-3-yl]-N-prop-2-enylpropanamide
CID 99975558
N-(1,1-dioxothiolan-3-yl)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60560710
N-(1,1-dioxothiolan-3-yl)-2-methyl-N-prop-2-enyl-1-benzofuran-7-carboxamide
CID 131933758
1-[methyl-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120539918
N-(1,1-dioxothiolan-3-yl)-5-methyl-1-(2-methylphenyl)-N-prop-2-enylpyrazole-4-carboxamide
CID 51124307
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methyl-N-prop-2-enylindole-2-carboxamide
CID 94668550
N-[(3S)-1,1-dioxothiolan-3-yl]-N-prop-2-enyl-1H-indole-2-carboxamide
CID 94820885
N-[2-(dimethylamino)ethyl]-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-methyl-4-phenyl-1,3-thiazol-5-yl)acetamide
CID 51504649

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide (CID 51124309) is N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide is C=CCN(C(=O)Cc1nc(-c2ccccc2)oc1C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide?
The InChIKey is SQNCWGCHLKPVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-3-10-21(16-9-11-26(23,24)13-16)18(22)12-17-14(2)25-19(20-17)15-7-5-4-6-8-15/h3-8,16H,1,9-13H2,2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide?
N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide has a molecular weight of 374.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 51124309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).