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

C26H24N2O4 — CID 2094703

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C26H24N2O4/c1-18-25(19(2)32-28-18)17-31-24-10-6-9-21(15-24)26(29)27-22-11-13-23(14-12-22)30-16-20-7-4-3-5-8-20/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyFVGFCDILBFZIOI-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.70
Rot. Bonds8

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 2094703) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID2094703
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C26H24N2O4/c1-18-25(19(2)32-28-18)17-31-24-10-6-9-21(15-24)26(29)27-22-11-13-23(14-12-22)30-16-20-7-4-3-5-8-20/h3-15H,16-17H2,1-2H3,(H,27,29)
InChIKeyFVGFCDILBFZIOI-UHFFFAOYSA-N
XLogP5.70
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide (CID 2094703) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is FVGFCDILBFZIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-18-25(19(2)32-28-18)17-31-24-10-6-9-21(15-24)26(29)27-22-11-13-23(14-12-22)30-16-20-7-4-3-5-8-20/h3-15H,16-17H2,1-2H3,(H,27,29).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 428.49 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 2094703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).