3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C17H20N4O3 — CID 97333753

About 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97333753) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 97333753
• Molecular Formula: C17H20N4O3
• Molecular Weight: 328.37 g/mol
• Exact Mass: 328.15
• IUPAC Name: 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](NCc1noc(C2CC2)n1)c1cccc(N2CCOC2=O)c1
• InChI: InChI=1S/C17H20N4O3/c1-11(18-10-15-19-16(24-20-15)12-5-6-12)13-3-2-4-14(9-13)21-7-8-23-17(21)22/h2-4,9,11-12,18H,5-8,10H2,1H3/t11-/m0/s1
• InChIKey: UWBBDZVFLIUUKV-NSHDSACASA-N
• XLogP: 2.75
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.37
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97333753) is 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is C[C@H](NCc1noc(C2CC2)n1)c1cccc(N2CCOC2=O)c1.

What is the InChIKey of 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?

The InChIKey is UWBBDZVFLIUUKV-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(18-10-15-19-16(24-20-15)12-5-6-12)13-3-2-4-14(9-13)21-7-8-23-17(21)22/h2-4,9,11-12,18H,5-8,10H2,1H3/t11-/m0/s1.

What are the key properties of 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?

3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 328.37 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[(1S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97333753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).