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

C17H11F3N2O2 — CID 154291859

IUPAC2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)11-7-5-10(6-8-11)15-9-14(22-24-15)12-3-1-2-4-13(12)16(21)23/h1-9H,(H2,21,23)
InChIKeyNLMLWQBVHARTSU-UHFFFAOYSA-N
MW332.28 g/mol
LogP4.13
Rot. Bonds3

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

2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide (PubChem CID 154291859) has the molecular formula C17H11F3N2O2 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide.

Molecular Properties

Compound Name2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
PubChem CID154291859
Molecular FormulaC17H11F3N2O2
Molecular Weight332.28 g/mol
Exact Mass332.08
IUPAC Name2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide
SMILESNC(=O)c1ccccc1-c1cc(-c2ccc(C(F)(F)F)cc2)on1
InChIInChI=1S/C17H11F3N2O2/c18-17(19,20)11-7-5-10(6-8-11)15-9-14(22-24-15)12-3-1-2-4-13(12)16(21)23/h1-9H,(H2,21,23)
InChIKeyNLMLWQBVHARTSU-UHFFFAOYSA-N
XLogP4.13
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 139215073
2-[2-methyl-5-(trifluoromethyl)phenyl]benzamide
CID 140533162
2,2-dimethyl-1-[2-[4-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 16680132
5-amino-2-[4-(trifluoromethyl)phenyl]benzamide
CID 68829793
2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 97057771
2-chloro-5-[4-(trifluoromethyl)phenyl]benzamide
CID 118822528
methyl 2-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-2-methoxyiminoacetate
CID 54490398
[(2R)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103643
[(2S)-1-amino-1-oxopropan-2-yl] 2-[4-(trifluoromethyl)phenyl]benzoate
CID 2103644
2-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67160180
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
CID 22245167
5-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-3-amine
CID 45484940

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The IUPAC name of 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide (CID 154291859) is 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide.
What is the SMILES notation for 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The canonical SMILES for 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide is NC(=O)c1ccccc1-c1cc(-c2ccc(C(F)(F)F)cc2)on1.
What is the InChIKey of 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
The InChIKey is NLMLWQBVHARTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O2/c18-17(19,20)11-7-5-10(6-8-11)15-9-14(22-24-15)12-3-1-2-4-13(12)16(21)23/h1-9H,(H2,21,23).
What are the key properties of 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide?
2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide has a molecular weight of 332.28 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-3-yl]benzamide is sourced from PubChem (CID 154291859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).