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

C10H8FN3O2 — CID 47045406

IUPAC4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H8FN3O2/c1-6-12-10(16-14-6)13-9(15)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14,15)
InChIKeyGUBQSMZKZSFQQU-UHFFFAOYSA-N
MW221.19 g/mol
LogP1.77
Rot. Bonds2

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

4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 47045406) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID47045406
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCc1noc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H8FN3O2/c1-6-12-10(16-14-6)13-9(15)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14,15)
InChIKeyGUBQSMZKZSFQQU-UHFFFAOYSA-N
XLogP1.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide (CID 47045406) is 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is Cc1noc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is GUBQSMZKZSFQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-6-12-10(16-14-6)13-9(15)7-2-4-8(11)5-3-7/h2-5H,1H3,(H,12,13,14,15).
What are the key properties of 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide?
4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 221.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 47045406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).