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

C22H21F3N2O3 — CID 9437481

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H21F3N2O3/c1-14-20(15(2)30-26-14)13-29-19-6-4-5-17(11-19)21(28)27(3)12-16-7-9-18(10-8-16)22(23,24)25/h4-11H,12-13H2,1-3H3
InChIKeyOBPZBVTWJNFRJT-UHFFFAOYSA-N
MW418.42 g/mol
LogP5.16
Rot. Bonds6

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 9437481) has the molecular formula C22H21F3N2O3 and a molecular weight of 418.42 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID9437481
Molecular FormulaC22H21F3N2O3
Molecular Weight418.42 g/mol
Exact Mass418.15
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C22H21F3N2O3/c1-14-20(15(2)30-26-14)13-29-19-6-4-5-17(11-19)21(28)27(3)12-16-7-9-18(10-8-16)22(23,24)25/h4-11H,12-13H2,1-3H3
InChIKeyOBPZBVTWJNFRJT-UHFFFAOYSA-N
XLogP5.16
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.42
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide with MolForge

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 31238590
N-benzyl-N-cyclopropyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46540368
N-[(4-cyanophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 55580007
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9439699
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-(1-phenylethyl)benzamide
CID 51188159
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-N-(4-fluorophenyl)benzamide
CID 51198625
N-cyclopropyl-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30832396
N-benzyl-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(furan-2-ylmethyl)benzamide
CID 37429508
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
2-(3-acetylphenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 112791758
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2418158

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 9437481) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is OBPZBVTWJNFRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3/c1-14-20(15(2)30-26-14)13-29-19-6-4-5-17(11-19)21(28)27(3)12-16-7-9-18(10-8-16)22(23,24)25/h4-11H,12-13H2,1-3H3.
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 418.42 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 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-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 9437481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).