N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

C13H16N2O4S — CID 20906303

IUPACN-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCOCCNC(=O)COCc1cc(-c2cccs2)on1
InChIInChI=1S/C13H16N2O4S/c1-17-5-4-14-13(16)9-18-8-10-7-11(19-15-10)12-3-2-6-20-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,16)
InChIKeyUNPYDNXXDGIBKW-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.68
Rot. Bonds8

About N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide

N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (PubChem CID 20906303) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
PubChem CID20906303
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide
SMILESCOCCNC(=O)COCc1cc(-c2cccs2)on1
InChIInChI=1S/C13H16N2O4S/c1-17-5-4-14-13(16)9-18-8-10-7-11(19-15-10)12-3-2-6-20-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,16)
InChIKeyUNPYDNXXDGIBKW-UHFFFAOYSA-N
XLogP1.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide (CID 20906303) is N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is COCCNC(=O)COCc1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
The InChIKey is UNPYDNXXDGIBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-17-5-4-14-13(16)9-18-8-10-7-11(19-15-10)12-3-2-6-20-12/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide?
N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide has a molecular weight of 296.35 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methoxy]acetamide is sourced from PubChem (CID 20906303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).