4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide

C23H26N2O3 — CID 11957211

IUPAC4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCc3ccc(C)cc3)no2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-27-21-13-11-19(12-14-21)22-15-20(25-28-22)5-4-6-23(26)24-16-18-9-7-17(2)8-10-18/h7-15H,3-6,16H2,1-2H3,(H,24,26)
InChIKeyILJURSZCZNURRV-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.69
Rot. Bonds9

About 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide

4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 11957211) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide
PubChem CID11957211
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide
SMILESCCOc1ccc(-c2cc(CCCC(=O)NCc3ccc(C)cc3)no2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-27-21-13-11-19(12-14-21)22-15-20(25-28-22)5-4-6-23(26)24-16-18-9-7-17(2)8-10-18/h7-15H,3-6,16H2,1-2H3,(H,24,26)
InChIKeyILJURSZCZNURRV-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide (CID 11957211) is 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide is CCOc1ccc(-c2cc(CCCC(=O)NCc3ccc(C)cc3)no2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is ILJURSZCZNURRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-27-21-13-11-19(12-14-21)22-15-20(25-28-22)5-4-6-23(26)24-16-18-9-7-17(2)8-10-18/h7-15H,3-6,16H2,1-2H3,(H,24,26).
What are the key properties of 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide?
4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 378.47 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 11957211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).