4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide

C21H22N2O4 — CID 9441147

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-15-20(16(2)27-23-15)14-26-19-10-8-17(9-11-19)21(24)22-12-13-25-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyBIWXRBQYNJITGY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.68
Rot. Bonds8

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide (PubChem CID 9441147) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide
PubChem CID9441147
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide
SMILESCc1noc(C)c1COc1ccc(C(=O)NCCOc2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-15-20(16(2)27-23-15)14-26-19-10-8-17(9-11-19)21(24)22-12-13-25-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyBIWXRBQYNJITGY-UHFFFAOYSA-N
XLogP3.68
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.68
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 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide (CID 9441147) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide is Cc1noc(C)c1COc1ccc(C(=O)NCCOc2ccccc2)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide?
The InChIKey is BIWXRBQYNJITGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-15-20(16(2)27-23-15)14-26-19-10-8-17(9-11-19)21(24)22-12-13-25-18-6-4-3-5-7-18/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide has a molecular weight of 366.42 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 9441147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).