3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

C26H25FN4O2 — CID 11575898

IUPAC3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O2/c1-17(19-11-13-22(27)14-12-19)29-23(32)20-9-6-10-21(15-20)24-30-31-25(33-24)26(2,28)16-18-7-4-3-5-8-18/h3-15,17H,16,28H2,1-2H3,(H,29,32)/t17-,26-/m1/s1
InChIKeySMZZGDMYXRPFFK-WGDIFIGCSA-N
MW444.51 g/mol
LogP4.78
Rot. Bonds7

About 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide

3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 11575898) has the molecular formula C26H25FN4O2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID11575898
Molecular FormulaC26H25FN4O2
Molecular Weight444.51 g/mol
Exact Mass444.20
IUPAC Name3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C26H25FN4O2/c1-17(19-11-13-22(27)14-12-19)29-23(32)20-9-6-10-21(15-20)24-30-31-25(33-24)26(2,28)16-18-7-4-3-5-8-18/h3-15,17H,16,28H2,1-2H3,(H,29,32)/t17-,26-/m1/s1
InChIKeySMZZGDMYXRPFFK-WGDIFIGCSA-N
XLogP4.78
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 11575898) is 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is C[C@@H](NC(=O)c1cccc(-c2nnc([C@](C)(N)Cc3ccccc3)o2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is SMZZGDMYXRPFFK-WGDIFIGCSA-N. The full InChI is InChI=1S/C26H25FN4O2/c1-17(19-11-13-22(27)14-12-19)29-23(32)20-9-6-10-21(15-20)24-30-31-25(33-24)26(2,28)16-18-7-4-3-5-8-18/h3-15,17H,16,28H2,1-2H3,(H,29,32)/t17-,26-/m1/s1.
What are the key properties of 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 444.51 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2R)-2-amino-1-phenylpropan-2-yl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 11575898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).