2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide

C16H20IN3O2 — CID 51039200

IUPAC2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cc(-c2ccc(I)cc2)no1
InChIInChI=1S/C16H20IN3O2/c1-3-20(4-2)11-16(21)18-10-14-9-15(19-22-14)12-5-7-13(17)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyPQKNXOZRTABMGR-UHFFFAOYSA-N
MW413.26 g/mol
LogP2.90
Rot. Bonds7

About 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide

2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 51039200) has the molecular formula C16H20IN3O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID51039200
Molecular FormulaC16H20IN3O2
Molecular Weight413.26 g/mol
Exact Mass413.06
IUPAC Name2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCCN(CC)CC(=O)NCc1cc(-c2ccc(I)cc2)no1
InChIInChI=1S/C16H20IN3O2/c1-3-20(4-2)11-16(21)18-10-14-9-15(19-22-14)12-5-7-13(17)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,21)
InChIKeyPQKNXOZRTABMGR-UHFFFAOYSA-N
XLogP2.90
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 51039200) is 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide is CCN(CC)CC(=O)NCc1cc(-c2ccc(I)cc2)no1.
What is the InChIKey of 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is PQKNXOZRTABMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20IN3O2/c1-3-20(4-2)11-16(21)18-10-14-9-15(19-22-14)12-5-7-13(17)8-6-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,21).
What are the key properties of 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 413.26 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[[3-(4-iodophenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 51039200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).