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

C21H22N2O3 — CID 2103554

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
InChIInChI=1S/C21H22N2O3/c1-14-7-9-17(10-8-14)12-22-21(24)18-5-4-6-19(11-18)25-13-20-15(2)23-26-16(20)3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyYPTZEWXKMIUKEY-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.11
Rot. Bonds6

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 2103554) 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-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID2103554
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
InChIInChI=1S/C21H22N2O3/c1-14-7-9-17(10-8-14)12-22-21(24)18-5-4-6-19(11-18)25-13-20-15(2)23-26-16(20)3/h4-11H,12-13H2,1-3H3,(H,22,24)
InChIKeyYPTZEWXKMIUKEY-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methylphenyl)benzamide
CID 2534940
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
N-cyclohexyl-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 3686576
1-[4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperidine-4-carboxamide
CID 4789023
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
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,4-dimethylphenyl)benzamide
CID 2998641
4-[5-(4-ethoxyphenyl)-3-isoxazolyl]-N-[(4-methylphenyl)methyl]butanamide
CID 11957211
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-methylphenyl)benzamide
CID 2476863
N-(Butan-2-YL)-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 4518585
6-(3-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137726

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide (CID 2103554) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is YPTZEWXKMIUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-7-9-17(10-8-14)12-22-21(24)18-5-4-6-19(11-18)25-13-20-15(2)23-26-16(20)3/h4-11H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 350.42 g/mol, XLogP of 4.11, 6 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-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 2103554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).