3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one

C17H22N4O4 — CID 95337351

About 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 95337351) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
• PubChem CID: 95337351
• Molecular Formula: C17H22N4O4
• Molecular Weight: 346.39 g/mol
• Exact Mass: 346.16
• IUPAC Name: 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
• SMILES: C[C@@H](O)CN1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1
• InChI: InChI=1S/C17H22N4O4/c1-13(22)11-19-7-9-20(10-8-19)15(23)12-21-17(24)25-16(18-21)14-5-3-2-4-6-14/h2-6,13,22H,7-12H2,1H3/t13-/m1/s1
• InChIKey: FUMJSVXWLHVNAE-CYBMUJFWSA-N
• XLogP: 0.03
• TPSA: 91.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.39
LogP ≤ 5	0.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?

The IUPAC name of 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 95337351) is 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?

The canonical SMILES for 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one is C[C@@H](O)CN1CCN(C(=O)Cn2nc(-c3ccccc3)oc2=O)CC1.

What is the InChIKey of 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?

The InChIKey is FUMJSVXWLHVNAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-13(22)11-19-7-9-20(10-8-19)15(23)12-21-17(24)25-16(18-21)14-5-3-2-4-6-14/h2-6,13,22H,7-12H2,1H3/t13-/m1/s1.

What are the key properties of 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one?

3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 346.39 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 95337351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).