(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

C19H26Cl2N4O3 — CID 119882164

About (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride

(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119882164) has the molecular formula C19H26Cl2N4O3 and a molecular weight of 429.35 g/mol. Its IUPAC name is (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
• PubChem CID: 119882164
• Molecular Formula: C19H26Cl2N4O3
• Molecular Weight: 429.35 g/mol
• Exact Mass: 428.14
• IUPAC Name: (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
• SMILES: Cl.Cl.O=C(C1CC(O)CN1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1
• InChI: InChI=1S/C19H24N4O3.2ClH/c24-15-10-16(20-11-15)19(25)23-8-6-22(7-9-23)13-18-21-12-17(26-18)14-4-2-1-3-5-14;;/h1-5,12,15-16,20,24H,6-11,13H2;2*1H
• InChIKey: CAOXBEFRENNCIQ-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 81.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.35
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?

The IUPAC name of (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 119882164) is (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

What is the SMILES notation for (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?

The canonical SMILES for (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1CC(O)CN1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1.

What is the InChIKey of (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?

The InChIKey is CAOXBEFRENNCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.2ClH/c24-15-10-16(20-11-15)19(25)23-8-6-22(7-9-23)13-18-21-12-17(26-18)14-4-2-1-3-5-14;;/h1-5,12,15-16,20,24H,6-11,13H2;2*1H.

What are the key properties of (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride?

(4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 429.35 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-hydroxypyrrolidin-2-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119882164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).