5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C21H22N2O5 — CID 26398817

IUPAC5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(COc3cccc(OC)c3)on2)c1
InChIInChI=1S/C21H22N2O5/c1-25-16-6-3-5-15(11-16)9-10-22-21(24)20-13-19(28-23-20)14-27-18-8-4-7-17(12-18)26-2/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,24)
InChIKeyGNIAKZFTQQZKOS-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.24
Rot. Bonds9

About 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 26398817) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID26398817
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(COc3cccc(OC)c3)on2)c1
InChIInChI=1S/C21H22N2O5/c1-25-16-6-3-5-15(11-16)9-10-22-21(24)20-13-19(28-23-20)14-27-18-8-4-7-17(12-18)26-2/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,24)
InChIKeyGNIAKZFTQQZKOS-UHFFFAOYSA-N
XLogP3.24
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 26398817) is 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is COc1cccc(CCNC(=O)c2cc(COc3cccc(OC)c3)on2)c1.
What is the InChIKey of 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GNIAKZFTQQZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-16-6-3-5-15(11-16)9-10-22-21(24)20-13-19(28-23-20)14-27-18-8-4-7-17(12-18)26-2/h3-8,11-13H,9-10,14H2,1-2H3,(H,22,24).
What are the key properties of 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxyphenoxy)methyl]-N-[2-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 26398817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).