2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

C20H18F2N4O2 — CID 95099799

About 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide

2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 95099799) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• PubChem CID: 95099799
• Molecular Formula: C20H18F2N4O2
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
• SMILES: O=C(N[C@@H](c1ccccc1)c1nnc(N2CCCC2)o1)c1cc(F)ccc1F
• InChI: InChI=1S/C20H18F2N4O2/c21-14-8-9-16(22)15(12-14)18(27)23-17(13-6-2-1-3-7-13)19-24-25-20(28-19)26-10-4-5-11-26/h1-3,6-9,12,17H,4-5,10-11H2,(H,23,27)/t17-/m0/s1
• InChIKey: XGLWXPYFBGEMIX-KRWDZBQOSA-N
• XLogP: 3.47
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The IUPAC name of 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 95099799) is 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

What is the SMILES notation for 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The canonical SMILES for 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is O=C(N[C@@H](c1ccccc1)c1nnc(N2CCCC2)o1)c1cc(F)ccc1F.

What is the InChIKey of 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

The InChIKey is XGLWXPYFBGEMIX-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c21-14-8-9-16(22)15(12-14)18(27)23-17(13-6-2-1-3-7-13)19-24-25-20(28-19)26-10-4-5-11-26/h1-3,6-9,12,17H,4-5,10-11H2,(H,23,27)/t17-/m0/s1.

What are the key properties of 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?

2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 384.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-difluoro-N-[(S)-phenyl-(5-pyrrolidin-1-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 95099799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).