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

C21H22N2O3 — CID 2998641

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1
InChIInChI=1S/C21H22N2O3/c1-13-8-9-20(14(2)10-13)22-21(24)17-6-5-7-18(11-17)25-12-19-15(3)23-26-16(19)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyBWKKUEBLOTTZMO-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.74
Rot. Bonds5

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide (PubChem CID 2998641) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
PubChem CID2998641
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1
InChIInChI=1S/C21H22N2O3/c1-13-8-9-20(14(2)10-13)22-21(24)17-6-5-7-18(11-17)25-12-19-15(3)23-26-16(19)4/h5-11H,12H2,1-4H3,(H,22,24)
InChIKeyBWKKUEBLOTTZMO-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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Related Compounds

N-(2-acetylphenyl)-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2466270
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,3-dimethylphenyl)benzamide
CID 2572928
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide
CID 25163346
5-methyl-3-phenyl-N-(2-propoxyphenyl)-1,2-oxazole-4-carboxamide
CID 2197808
5-methyl-3-phenyl-N-(3-propoxyphenyl)-4-isoxazolecarboxamide
CID 2260458
N-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 1093771
N-tert-butyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 2111790
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-phenylbenzamide
CID 2574590
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3494857
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(4-methylcyclohexyl)benzamide
CID 24818340
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2598908

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide (CID 2998641) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)c(C)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide?
The InChIKey is BWKKUEBLOTTZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-8-9-20(14(2)10-13)22-21(24)17-6-5-7-18(11-17)25-12-19-15(3)23-26-16(19)4/h5-11H,12H2,1-4H3,(H,22,24).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-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 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide is sourced from PubChem (CID 2998641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).