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

C20H21FN4O2 — CID 143127152

IUPAC3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2nnc(C(C)(C)N)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-12(13-7-9-16(21)10-8-13)23-17(26)14-5-4-6-15(11-14)18-24-25-19(27-18)20(2,3)22/h4-12H,22H2,1-3H3,(H,23,26)/t12-/m1/s1
InChIKeyRHQMTRZQFLGEIH-GFCCVEGCSA-N
MW368.41 g/mol
LogP3.56
Rot. Bonds5

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

3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (PubChem CID 143127152) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
PubChem CID143127152
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(-c2nnc(C(C)(C)N)o2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O2/c1-12(13-7-9-16(21)10-8-13)23-17(26)14-5-4-6-15(11-14)18-24-25-19(27-18)20(2,3)22/h4-12H,22H2,1-3H3,(H,23,26)/t12-/m1/s1
InChIKeyRHQMTRZQFLGEIH-GFCCVEGCSA-N
XLogP3.56
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The IUPAC name of 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide (CID 143127152) is 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 3-[5-(2-aminopropan-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)(C)N)o2)c1)c1ccc(F)cc1.
What is the InChIKey of 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
The InChIKey is RHQMTRZQFLGEIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(13-7-9-16(21)10-8-13)23-17(26)14-5-4-6-15(11-14)18-24-25-19(27-18)20(2,3)22/h4-12H,22H2,1-3H3,(H,23,26)/t12-/m1/s1.
What are the key properties of 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide?
3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide has a molecular weight of 368.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-aminopropan-2-yl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 143127152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).