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

C18H15F3N2O2 — CID 166443430

IUPACN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C2=NCCO2)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c1-11-6-7-12(14(10-11)18(19,20)21)16(24)23-15-5-3-2-4-13(15)17-22-8-9-25-17/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyIKXRQSRUECGLIS-UHFFFAOYSA-N
MW348.32 g/mol
LogP4.04
Rot. Bonds3

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

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide (PubChem CID 166443430) has the molecular formula C18H15F3N2O2 and a molecular weight of 348.32 g/mol. Its IUPAC name is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide
PubChem CID166443430
Molecular FormulaC18H15F3N2O2
Molecular Weight348.32 g/mol
Exact Mass348.11
IUPAC NameN-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C2=NCCO2)c(C(F)(F)F)c1
InChIInChI=1S/C18H15F3N2O2/c1-11-6-7-12(14(10-11)18(19,20)21)16(24)23-15-5-3-2-4-13(15)17-22-8-9-25-17/h2-7,10H,8-9H2,1H3,(H,23,24)
InChIKeyIKXRQSRUECGLIS-UHFFFAOYSA-N
XLogP4.04
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methoxy-2,6-bis(trifluoromethyl)benzamide
CID 166443212
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-[(2-methyl-4-pyridinyl)amino]benzamide
CID 166443419
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-2-phenyl-4-pyridin-2-ylbenzamide
CID 177401902
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86779974
2-amino-5-methyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 62511382
2-(4,5-dihydro-1,3-oxazol-2-yl)benzamide
CID 174769294
N-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)benzamide
CID 7778212
2-(2,5-dimethylphenyl)-N-[2-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 2220779
N-[2-(2,2-difluoro-1,3-benzodioxol-5-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 58846872
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
2-[(3-methylbenzoyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 9172409
4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 2775606

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide (CID 166443430) is N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide is Cc1ccc(C(=O)Nc2ccccc2C2=NCCO2)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide?
The InChIKey is IKXRQSRUECGLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2/c1-11-6-7-12(14(10-11)18(19,20)21)16(24)23-15-5-3-2-4-13(15)17-22-8-9-25-17/h2-7,10H,8-9H2,1H3,(H,23,24).
What are the key properties of N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide?
N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide has a molecular weight of 348.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4-methyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 166443430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).