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

C11H8F3N3O2 — CID 110318351

IUPAC2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CNC(=O)c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C11H8F3N3O2/c1-5-16-17-8(19-5)4-15-11(18)6-2-3-7(12)10(14)9(6)13/h2-3H,4H2,1H3,(H,15,18)
InChIKeyYVJORZNRAJZNCS-UHFFFAOYSA-N
MW271.20 g/mol
LogP1.73
Rot. Bonds3

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

2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110318351) has the molecular formula C11H8F3N3O2 and a molecular weight of 271.20 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110318351
Molecular FormulaC11H8F3N3O2
Molecular Weight271.20 g/mol
Exact Mass271.06
IUPAC Name2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCc1nnc(CNC(=O)c2ccc(F)c(F)c2F)o1
InChIInChI=1S/C11H8F3N3O2/c1-5-16-17-8(19-5)4-15-11(18)6-2-3-7(12)10(14)9(6)13/h2-3H,4H2,1H3,(H,15,18)
InChIKeyYVJORZNRAJZNCS-UHFFFAOYSA-N
XLogP1.73
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318346
2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671218
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,3,4-trifluorobenzamide
CID 110730995
2,3,4-trifluoro-N-[2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321450
N-[2-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]-2,3,4-trifluorobenzamide
CID 110718765
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]furan-2-carboxamide
CID 75357594
3,4-dimethyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318313
(5-methyl-1,3,4-oxadiazol-2-yl)methylurea
CID 130738422
N-(2-bromoethyl)-2,3,4-trifluorobenzamide
CID 79749872
2,3,4-trifluoro-N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321334
2,3,4-trifluoro-N-[(2-fluorophenyl)methyl]benzamide
CID 110755457
N-[[4-(chloromethyl)phenyl]methyl]-2,3,4-trifluorobenzamide
CID 107233561

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110318351) is 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is Cc1nnc(CNC(=O)c2ccc(F)c(F)c2F)o1.
What is the InChIKey of 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is YVJORZNRAJZNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O2/c1-5-16-17-8(19-5)4-15-11(18)6-2-3-7(12)10(14)9(6)13/h2-3H,4H2,1H3,(H,15,18).
What are the key properties of 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 271.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110318351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).