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

C21H22N2O3 — CID 2572928

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C
InChIInChI=1S/C21H22N2O3/c1-13-6-5-7-20(14(13)2)22-21(24)17-8-10-18(11-9-17)25-12-19-15(3)23-26-16(19)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyQLUHJWORLKMEJI-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.74
Rot. Bonds5

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide (PubChem CID 2572928) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
PubChem CID2572928
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C
InChIInChI=1S/C21H22N2O3/c1-13-6-5-7-20(14(13)2)22-21(24)17-8-10-18(11-9-17)25-12-19-15(3)23-26-16(19)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyQLUHJWORLKMEJI-UHFFFAOYSA-N
XLogP4.74
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide (CID 2572928) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide is Cc1cccc(NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c1C.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide?
The InChIKey is QLUHJWORLKMEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-6-5-7-20(14(13)2)22-21(24)17-8-10-18(11-9-17)25-12-19-15(3)23-26-16(19)4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide is sourced from PubChem (CID 2572928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).