N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C11H12N2O3S — CID 4777443

IUPACN-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C11H12N2O3S/c1-15-5-4-12-11(14)8-7-9(16-13-8)10-3-2-6-17-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyMSRZHAHEKVEMBU-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.78
Rot. Bonds5

About N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 4777443) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID4777443
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC NameN-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOCCNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C11H12N2O3S/c1-15-5-4-12-11(14)8-7-9(16-13-8)10-3-2-6-17-10/h2-3,6-7H,4-5H2,1H3,(H,12,14)
InChIKeyMSRZHAHEKVEMBU-UHFFFAOYSA-N
XLogP1.78
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 4777443) is N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COCCNC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is MSRZHAHEKVEMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-15-5-4-12-11(14)8-7-9(16-13-8)10-3-2-6-17-10/h2-3,6-7H,4-5H2,1H3,(H,12,14).
What are the key properties of N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 4777443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).