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

C21H22N2O3 — CID 2518737

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-16-7-5-6-8-20(16)22-21(24)17-9-11-18(12-10-17)25-13-19-14(2)23-26-15(19)3/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyMZQIYFSXGHLSIX-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.69
Rot. Bonds6

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

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide (PubChem CID 2518737) 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-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
PubChem CID2518737
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1
InChIInChI=1S/C21H22N2O3/c1-4-16-7-5-6-8-20(16)22-21(24)17-9-11-18(12-10-17)25-13-19-14(2)23-26-15(19)3/h5-12H,4,13H2,1-3H3,(H,22,24)
InChIKeyMZQIYFSXGHLSIX-UHFFFAOYSA-N
XLogP4.69
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide (CID 2518737) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(OCc2c(C)noc2C)cc1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide?
The InChIKey is MZQIYFSXGHLSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-4-16-7-5-6-8-20(16)22-21(24)17-9-11-18(12-10-17)25-13-19-14(2)23-26-15(19)3/h5-12H,4,13H2,1-3H3,(H,22,24).
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.69, 6 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-ethylphenyl)benzamide is sourced from PubChem (CID 2518737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).