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

C22H24FN5O2 — CID 24786134

IUPAC2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C22H24FN5O2/c23-19-7-2-1-6-18(19)20(29)25-17-10-8-16(9-11-17)21-26-27-22(30-21)24-12-5-15-28-13-3-4-14-28/h1-2,6-11H,3-5,12-15H2,(H,24,27)(H,25,29)
InChIKeyBVEQYIGPZVYYSV-UHFFFAOYSA-N
MW409.47 g/mol
LogP4.03
Rot. Bonds8

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

2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 24786134) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID24786134
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C22H24FN5O2/c23-19-7-2-1-6-18(19)20(29)25-17-10-8-16(9-11-17)21-26-27-22(30-21)24-12-5-15-28-13-3-4-14-28/h1-2,6-11H,3-5,12-15H2,(H,24,27)(H,25,29)
InChIKeyBVEQYIGPZVYYSV-UHFFFAOYSA-N
XLogP4.03
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 54.03
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-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 24786134) is 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCCC3)o2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is BVEQYIGPZVYYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-19-7-2-1-6-18(19)20(29)25-17-10-8-16(9-11-17)21-26-27-22(30-21)24-12-5-15-28-13-3-4-14-28/h1-2,6-11H,3-5,12-15H2,(H,24,27)(H,25,29).
What are the key properties of 2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 409.47 g/mol, XLogP of 4.03, 8 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-(3-pyrrolidin-1-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 24786134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).