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

C11H10FN3O2 — CID 115696967

IUPAC2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cccc(C)c2F)n1
InChIInChI=1S/C11H10FN3O2/c1-6-4-3-5-8(9(6)12)10(16)14-11-13-7(2)15-17-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyZYTIXZIMLFGHHF-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.08
Rot. Bonds2

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

2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 115696967) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID115696967
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2cccc(C)c2F)n1
InChIInChI=1S/C11H10FN3O2/c1-6-4-3-5-8(9(6)12)10(16)14-11-13-7(2)15-17-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyZYTIXZIMLFGHHF-UHFFFAOYSA-N
XLogP2.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-6-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 114559758
3,6-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)carbamoyl]benzoic acid
CID 103429396
N-(3-methyl-1,2,4-oxadiazol-5-yl)furan-2-carboxamide
CID 103618054
2-hydroxy-5-iodo-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 103520316
1-amino-N-(3-methyl-1,2,4-oxadiazol-5-yl)isoquinoline-4-carboxamide
CID 106772956
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701
2-fluoro-3-methyl-N-naphthalen-1-ylbenzamide
CID 80710420
2-hydroxy-5-methoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 115589350
3,5-dihydroxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 104938878
N-(3,5-dichloro-4-hydroxyphenyl)-2-fluoro-3-methylbenzamide
CID 82884561
N-(4-chloro-3-pyridinyl)-2-fluoro-3-methylbenzamide
CID 80712464
2-fluoro-N-(3-fluoro-4-methylphenyl)-3-methylbenzamide
CID 80718596

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 115696967) is 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(NC(=O)c2cccc(C)c2F)n1.
What is the InChIKey of 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is ZYTIXZIMLFGHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-4-3-5-8(9(6)12)10(16)14-11-13-7(2)15-17-11/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 235.22 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 115696967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).