N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide

C11H10FN3O2 — CID 90289730

IUPACN-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C)c2)no1
InChIInChI=1S/C11H10FN3O2/c1-6-5-8(3-4-9(6)12)14-11(16)10-13-7(2)17-15-10/h3-5H,1-2H3,(H,14,16)
InChIKeyQDAKAHVAEBAZFM-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.08
Rot. Bonds2

About N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide

N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 90289730) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID90289730
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide
SMILESCc1nc(C(=O)Nc2ccc(F)c(C)c2)no1
InChIInChI=1S/C11H10FN3O2/c1-6-5-8(3-4-9(6)12)14-11(16)10-13-7(2)17-15-10/h3-5H,1-2H3,(H,14,16)
InChIKeyQDAKAHVAEBAZFM-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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide (CID 90289730) is N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide is Cc1nc(C(=O)Nc2ccc(F)c(C)c2)no1.
What is the InChIKey of N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is QDAKAHVAEBAZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-6-5-8(3-4-9(6)12)14-11(16)10-13-7(2)17-15-10/h3-5H,1-2H3,(H,14,16).
What are the key properties of N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide?
N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide 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 N-(4-fluoro-3-methylphenyl)-5-methyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 90289730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).