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

C22H24FN5O3 — CID 24782306

IUPAC2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCOCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29)
InChIKeyMUIPFQAYLPYEPC-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.26
Rot. Bonds8

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

2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 24782306) has the molecular formula C22H24FN5O3 and a molecular weight of 425.46 g/mol. Its IUPAC name is 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
PubChem CID24782306
Molecular FormulaC22H24FN5O3
Molecular Weight425.46 g/mol
Exact Mass425.19
IUPAC Name2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nnc(NCCCN3CCOCC3)o2)cc1)c1ccccc1F
InChIInChI=1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29)
InChIKeyMUIPFQAYLPYEPC-UHFFFAOYSA-N
XLogP3.26
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The IUPAC name of 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 24782306) is 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The canonical SMILES for 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1ccc(-c2nnc(NCCCN3CCOCC3)o2)cc1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
The InChIKey is MUIPFQAYLPYEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29).
What are the key properties of 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?
2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 425.46 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 24782306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).