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

C23H26FN5O2 — CID 24783056

IUPAC2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCCN3CCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30)
InChIKeyFUWJHMHDKQKGCZ-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.42
Rot. Bonds9

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

2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 24783056) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID24783056
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCCN3CCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30)
InChIKeyFUWJHMHDKQKGCZ-UHFFFAOYSA-N
XLogP4.42
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 24783056) is 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nnc(NCCCCN3CCCC3)o2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is FUWJHMHDKQKGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-20-8-2-1-7-19(20)21(30)26-18-11-9-17(10-12-18)22-27-28-23(31-22)25-13-3-4-14-29-15-5-6-16-29/h1-2,7-12H,3-6,13-16H2,(H,25,28)(H,26,30).
What are the key properties of 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 423.49 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[5-(4-pyrrolidin-1-ylbutylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 24783056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).