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

C14H15FN4O2 — CID 102703455

IUPAC2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2nnc(C3CCCN3)o2)c1
InChIInChI=1S/C14H15FN4O2/c1-8-4-5-10(15)9(7-8)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyLIOKGWTUHPJPSK-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.19
Rot. Bonds3

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

2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 102703455) has the molecular formula C14H15FN4O2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID102703455
Molecular FormulaC14H15FN4O2
Molecular Weight290.30 g/mol
Exact Mass290.12
IUPAC Name2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCc1ccc(F)c(C(=O)Nc2nnc(C3CCCN3)o2)c1
InChIInChI=1S/C14H15FN4O2/c1-8-4-5-10(15)9(7-8)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20)
InChIKeyLIOKGWTUHPJPSK-UHFFFAOYSA-N
XLogP2.19
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703172
4-fluoro-2-hydroxy-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 107016102
3,6-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridazine-4-carboxamide
CID 102703292
4-fluoro-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703098
3,4-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703119
5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)-1H-pyrazole-4-carboxamide
CID 102703332
3-chloro-4-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 102703133
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)thiophene-3-carboxamide
CID 107963749
1,3,5-trimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyrazole-4-carboxamide
CID 102703303
5-bromo-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)pyridine-3-carboxamide
CID 102703521
N-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970772
1-ethyl-3-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)urea
CID 102703600

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 102703455) is 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is Cc1ccc(F)c(C(=O)Nc2nnc(C3CCCN3)o2)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is LIOKGWTUHPJPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O2/c1-8-4-5-10(15)9(7-8)12(20)17-14-19-18-13(21-14)11-3-2-6-16-11/h4-5,7,11,16H,2-3,6H2,1H3,(H,17,19,20).
What are the key properties of 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 290.30 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 102703455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).