N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide

C16H20N2O4 — CID 46096975

IUPACN-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCOCCNC(=O)c1c(C)noc1-c1ccc(OC)cc1
InChIInChI=1S/C16H20N2O4/c1-4-21-10-9-17-16(19)14-11(2)18-22-15(14)12-5-7-13(20-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyJCEGWYIWXFIUDJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.42
Rot. Bonds7

About N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide

N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 46096975) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID46096975
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
SMILESCCOCCNC(=O)c1c(C)noc1-c1ccc(OC)cc1
InChIInChI=1S/C16H20N2O4/c1-4-21-10-9-17-16(19)14-11(2)18-22-15(14)12-5-7-13(20-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,17,19)
InChIKeyJCEGWYIWXFIUDJ-UHFFFAOYSA-N
XLogP2.42
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.42
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-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide (CID 46096975) is N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is CCOCCNC(=O)c1c(C)noc1-c1ccc(OC)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is JCEGWYIWXFIUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-21-10-9-17-16(19)14-11(2)18-22-15(14)12-5-7-13(20-3)8-6-12/h5-8H,4,9-10H2,1-3H3,(H,17,19).
What are the key properties of N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide?
N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-5-(4-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46096975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).