2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride

C20H22ClN3O4 — CID 71782744

About 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride (PubChem CID 71782744) has the molecular formula C20H22ClN3O4 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride.

Molecular Properties

• Compound Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
• PubChem CID: 71782744
• Molecular Formula: C20H22ClN3O4
• Molecular Weight: 403.87 g/mol
• Exact Mass: 403.13
• IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride
• SMILES: Cc1noc(C)c1CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1.Cl
• InChI: InChI=1S/C20H21N3O4.ClH/c1-13-16(14(2)27-21-13)12-22-7-9-23(10-8-22)20(25)19-11-17(24)15-5-3-4-6-18(15)26-19;/h3-6,11H,7-10,12H2,1-2H3;1H
• InChIKey: JUGLNCINCGBJKQ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 79.79 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.87
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?

The IUPAC name of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride (CID 71782744) is 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride.

What is the SMILES notation for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?

The canonical SMILES for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride is Cc1noc(C)c1CN1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1.Cl.

What is the InChIKey of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?

The InChIKey is JUGLNCINCGBJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4.ClH/c1-13-16(14(2)27-21-13)12-22-7-9-23(10-8-22)20(25)19-11-17(24)15-5-3-4-6-18(15)26-19;/h3-6,11H,7-10,12H2,1-2H3;1H.

What are the key properties of 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride?

2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride has a molecular weight of 403.87 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazine-1-carbonyl]chromen-4-one;hydrochloride is sourced from PubChem (CID 71782744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).