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

C12H9F3N2O2 — CID 110671218

IUPAC2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
SMILESCc1ncoc1CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H9F3N2O2/c1-6-9(19-5-17-6)4-16-12(18)7-2-3-8(13)11(15)10(7)14/h2-3,5H,4H2,1H3,(H,16,18)
InChIKeyRMXJQWYCINJQFX-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.33
Rot. Bonds3

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

2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide (PubChem CID 110671218) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
PubChem CID110671218
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
SMILESCc1ncoc1CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C12H9F3N2O2/c1-6-9(19-5-17-6)4-16-12(18)7-2-3-8(13)11(15)10(7)14/h2-3,5H,4H2,1H3,(H,16,18)
InChIKeyRMXJQWYCINJQFX-UHFFFAOYSA-N
XLogP2.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671209
2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671174
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318351
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110718765
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561
3-(4-ethylphenyl)-N-[(4-methyl-1,3-oxazol-5-yl)methyl]propanamide
CID 110671232
2,3,4-trifluoro-N-(2-methylprop-2-enyl)benzamide
CID 91723454
N-(4-chlorobutyl)-2,3,4-trifluorobenzamide
CID 106845363
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide (CID 110671218) is 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide is Cc1ncoc1CNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The InChIKey is RMXJQWYCINJQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c1-6-9(19-5-17-6)4-16-12(18)7-2-3-8(13)11(15)10(7)14/h2-3,5H,4H2,1H3,(H,16,18).
What are the key properties of 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide has a molecular weight of 270.21 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110671218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).