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

C19H17FN4O2 — CID 142439997

IUPAC2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc(N3CCCC3)o2)c1)c1ccccc1F
InChIInChI=1S/C19H17FN4O2/c20-16-9-2-1-8-15(16)17(25)21-14-7-5-6-13(12-14)18-22-23-19(26-18)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11H2,(H,21,25)
InChIKeyCTZLCJQUZBNRGU-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.73
Rot. Bonds4

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

2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 142439997) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID142439997
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2nnc(N3CCCC3)o2)c1)c1ccccc1F
InChIInChI=1S/C19H17FN4O2/c20-16-9-2-1-8-15(16)17(25)21-14-7-5-6-13(12-14)18-22-23-19(26-18)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11H2,(H,21,25)
InChIKeyCTZLCJQUZBNRGU-UHFFFAOYSA-N
XLogP3.73
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 142439997) is 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is O=C(Nc1cccc(-c2nnc(N3CCCC3)o2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is CTZLCJQUZBNRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c20-16-9-2-1-8-15(16)17(25)21-14-7-5-6-13(12-14)18-22-23-19(26-18)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11H2,(H,21,25).
What are the key properties of 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 352.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 142439997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).