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

C11H11FN4O2 — CID 61139818

IUPAC3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2ccc(F)c(N)c2)n1
InChIInChI=1S/C11H11FN4O2/c1-6-15-10(18-16-6)5-14-11(17)7-2-3-8(12)9(13)4-7/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyNXBVYRSOKOGNJO-UHFFFAOYSA-N
MW250.23 g/mol
LogP1.03
Rot. Bonds3

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

3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (PubChem CID 61139818) has the molecular formula C11H11FN4O2 and a molecular weight of 250.23 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
PubChem CID61139818
Molecular FormulaC11H11FN4O2
Molecular Weight250.23 g/mol
Exact Mass250.09
IUPAC Name3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILESCc1noc(CNC(=O)c2ccc(F)c(N)c2)n1
InChIInChI=1S/C11H11FN4O2/c1-6-15-10(18-16-6)5-14-11(17)7-2-3-8(12)9(13)4-7/h2-4H,5,13H2,1H3,(H,14,17)
InChIKeyNXBVYRSOKOGNJO-UHFFFAOYSA-N
XLogP1.03
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.23
LogP ≤ 51.03
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

3-hydroxy-4-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104627817
4-amino-3,5-dichloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 82832642
3-amino-4-fluoro-N-[(2-methylpyrimidin-4-yl)methyl]benzamide
CID 61138905
3-iodo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 61400580
3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
3-(N'-hydroxycarbamimidoyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 76927062
3-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-4-fluorobenzamide
CID 65241104
3-amino-4-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 63279962
2-fluoro-6-hydroxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 104917845
N-[(2-fluorophenyl)methyl]-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 47064163
6-amino-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 55052629
3-amino-4-fluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 43436899

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide (CID 61139818) is 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is Cc1noc(CNC(=O)c2ccc(F)c(N)c2)n1.
What is the InChIKey of 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
The InChIKey is NXBVYRSOKOGNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2/c1-6-15-10(18-16-6)5-14-11(17)7-2-3-8(12)9(13)4-7/h2-4H,5,13H2,1H3,(H,14,17).
What are the key properties of 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide?
3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide has a molecular weight of 250.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide is sourced from PubChem (CID 61139818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).