N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide

C19H20N2O2S — CID 42790246

IUPACN-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide
SMILESC=CCN(CC1CC(c2ccccc2)=NO1)C(=O)Cc1cccs1
InChIInChI=1S/C19H20N2O2S/c1-2-10-21(19(22)13-17-9-6-11-24-17)14-16-12-18(20-23-16)15-7-4-3-5-8-15/h2-9,11,16H,1,10,12-14H2
InChIKeyISRWXYBZQMXTRV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.50
Rot. Bonds7

About N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide

N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide (PubChem CID 42790246) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide
PubChem CID42790246
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC NameN-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide
SMILESC=CCN(CC1CC(c2ccccc2)=NO1)C(=O)Cc1cccs1
InChIInChI=1S/C19H20N2O2S/c1-2-10-21(19(22)13-17-9-6-11-24-17)14-16-12-18(20-23-16)15-7-4-3-5-8-15/h2-9,11,16H,1,10,12-14H2
InChIKeyISRWXYBZQMXTRV-UHFFFAOYSA-N
XLogP3.50
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide (CID 42790246) is N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide is C=CCN(CC1CC(c2ccccc2)=NO1)C(=O)Cc1cccs1.
What is the InChIKey of N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide?
The InChIKey is ISRWXYBZQMXTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-2-10-21(19(22)13-17-9-6-11-24-17)14-16-12-18(20-23-16)15-7-4-3-5-8-15/h2-9,11,16H,1,10,12-14H2.
What are the key properties of N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide?
N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide has a molecular weight of 340.45 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-prop-2-enyl-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42790246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).