N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide

C13H11F3N2O2 — CID 110730995

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2O2/c1-6-9(7(2)20-18-6)5-17-13(19)8-3-4-10(14)12(16)11(8)15/h3-4H,5H2,1-2H3,(H,17,19)
InChIKeyZZIAGAPYWPMZPP-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.64
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide (PubChem CID 110730995) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
PubChem CID110730995
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
SMILESCc1noc(C)c1CNC(=O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3N2O2/c1-6-9(7(2)20-18-6)5-17-13(19)8-3-4-10(14)12(16)11(8)15/h3-4H,5H2,1-2H3,(H,17,19)
InChIKeyZZIAGAPYWPMZPP-UHFFFAOYSA-N
XLogP2.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.64
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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluoro-2-methylbenzamide
CID 112702398
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3-dihydroxybenzamide
CID 114344508
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2,3,4-trifluorophenyl)methyl]acetamide
CID 23654562
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103865338
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-fluorobenzamide
CID 47861608
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzamide
CID 103707100
2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671218
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-3-carboxamide
CID 106686991
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-ethylsulfanylbenzamide
CID 71974519
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethoxybenzamide
CID 47861665
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 27813023
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-sulfanylbenzamide
CID 107032011

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide (CID 110730995) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide is Cc1noc(C)c1CNC(=O)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide?
The InChIKey is ZZIAGAPYWPMZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c1-6-9(7(2)20-18-6)5-17-13(19)8-3-4-10(14)12(16)11(8)15/h3-4H,5H2,1-2H3,(H,17,19).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide has a molecular weight of 284.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide is sourced from PubChem (CID 110730995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).