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

C20H17F3N2O4 — CID 46523131

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O4/c1-12-16(13(2)29-25-12)11-27-15-7-5-6-14(10-15)19(26)24-17-8-3-4-9-18(17)28-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyMQRBRUSXLKDUJJ-UHFFFAOYSA-N
MW406.36 g/mol
LogP5.02
Rot. Bonds6

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 46523131) has the molecular formula C20H17F3N2O4 and a molecular weight of 406.36 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID46523131
Molecular FormulaC20H17F3N2O4
Molecular Weight406.36 g/mol
Exact Mass406.11
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C20H17F3N2O4/c1-12-16(13(2)29-25-12)11-27-15-7-5-6-14(10-15)19(26)24-17-8-3-4-9-18(17)28-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26)
InChIKeyMQRBRUSXLKDUJJ-UHFFFAOYSA-N
XLogP5.02
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.36
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-ethylphenyl)benzamide
CID 8839301
2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]benzamide
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3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(methoxymethyl)phenyl]benzamide
CID 55714868
N-(3-chloro-2-fluorophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
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2-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]-N-propylbenzamide
CID 29409481
N-(2,4-dibromophenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 29216339
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
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N-(5-acetamido-2-methylphenyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
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3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(thiophen-2-ylsulfonylamino)phenyl]benzamide
CID 43067087
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]benzamide
CID 46555174
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55639740
methyl 4-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]butanoate
CID 2530370

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 46523131) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide is Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is MQRBRUSXLKDUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O4/c1-12-16(13(2)29-25-12)11-27-15-7-5-6-14(10-15)19(26)24-17-8-3-4-9-18(17)28-20(21,22)23/h3-10H,11H2,1-2H3,(H,24,26).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 406.36 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 46523131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).