N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide

C16H20N2O5 — CID 72881785

IUPACN-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1coc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2O5/c1-3-18(8-9-19)16(20)14-10-23-15(17-14)11-22-13-6-4-12(21-2)5-7-13/h4-7,10,19H,3,8-9,11H2,1-2H3
InChIKeyOTYWNHQKUQHLKJ-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.72
Rot. Bonds8

About N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide

N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 72881785) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
PubChem CID72881785
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC NameN-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(CCO)C(=O)c1coc(COc2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2O5/c1-3-18(8-9-19)16(20)14-10-23-15(17-14)11-22-13-6-4-12(21-2)5-7-13/h4-7,10,19H,3,8-9,11H2,1-2H3
InChIKeyOTYWNHQKUQHLKJ-UHFFFAOYSA-N
XLogP1.72
TPSA85.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide (CID 72881785) is N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide is CCN(CCO)C(=O)c1coc(COc2ccc(OC)cc2)n1.
What is the InChIKey of N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is OTYWNHQKUQHLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-3-18(8-9-19)16(20)14-10-23-15(17-14)11-22-13-6-4-12(21-2)5-7-13/h4-7,10,19H,3,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxyethyl)-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 72881785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).