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

C11H10F2N4O2 — CID 106391337

IUPAC2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(F)c(F)cc2N)no1
InChIInChI=1S/C11H10F2N4O2/c1-5-16-10(17-19-5)4-15-11(18)6-2-7(12)8(13)3-9(6)14/h2-3H,4,14H2,1H3,(H,15,18)
InChIKeyPEYLOYDIXODZKK-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.17
Rot. Bonds3

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

2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (PubChem CID 106391337) has the molecular formula C11H10F2N4O2 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
PubChem CID106391337
Molecular FormulaC11H10F2N4O2
Molecular Weight268.22 g/mol
Exact Mass268.08
IUPAC Name2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2cc(F)c(F)cc2N)no1
InChIInChI=1S/C11H10F2N4O2/c1-5-16-10(17-19-5)4-15-11(18)6-2-7(12)8(13)3-9(6)14/h2-3H,4,14H2,1H3,(H,15,18)
InChIKeyPEYLOYDIXODZKK-UHFFFAOYSA-N
XLogP1.17
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-hydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114182758
2-amino-3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114183521
3-amino-5-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 114182742
2-fluoro-5-(3-hydroxyprop-1-ynyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106406568
ethyl 2-amino-4-fluoro-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzoate
CID 106407262
4-hydrazinyl-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106409248
2-(2-aminoethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106396658
3,5-dihydroxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 103892543
2-amino-4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106422845
2-amino-4,5-difluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 63238520
3-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 106408130
2-(3-aminoprop-1-ynyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 106406816

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The IUPAC name of 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide (CID 106391337) is 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide.
What is the SMILES notation for 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The canonical SMILES for 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is Cc1nc(CNC(=O)c2cc(F)c(F)cc2N)no1.
What is the InChIKey of 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
The InChIKey is PEYLOYDIXODZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O2/c1-5-16-10(17-19-5)4-15-11(18)6-2-7(12)8(13)3-9(6)14/h2-3H,4,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide?
2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide has a molecular weight of 268.22 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,5-difluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide is sourced from PubChem (CID 106391337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).