3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

C24H25ClF4N4O3 — CID 67381361

About 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride

3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (PubChem CID 67381361) has the molecular formula C24H25ClF4N4O3 and a molecular weight of 528.93 g/mol. Its IUPAC name is 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
• PubChem CID: 67381361
• Molecular Formula: C24H25ClF4N4O3
• Molecular Weight: 528.93 g/mol
• Exact Mass: 528.16
• IUPAC Name: 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride
• SMILES: CC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3C3CC3)CC2)c(F)c1.Cl
• InChI: InChI=1S/C24H24F4N4O3.ClH/c1-14-13-35-23(34)32(14)17-4-5-18(20(25)11-17)22(33)31-8-6-30(7-9-31)21-19(15-2-3-15)10-16(12-29-21)24(26,27)28;/h4-5,10-12,14-15H,2-3,6-9,13H2,1H3;1H
• InChIKey: NOAMZGWTMAMIFW-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 65.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.93
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

The IUPAC name of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride (CID 67381361) is 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride.

What is the SMILES notation for 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

The canonical SMILES for 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is CC1COC(=O)N1c1ccc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3C3CC3)CC2)c(F)c1.Cl.

What is the InChIKey of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

The InChIKey is NOAMZGWTMAMIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4N4O3.ClH/c1-14-13-35-23(34)32(14)17-4-5-18(20(25)11-17)22(33)31-8-6-30(7-9-31)21-19(15-2-3-15)10-16(12-29-21)24(26,27)28;/h4-5,10-12,14-15H,2-3,6-9,13H2,1H3;1H.

What are the key properties of 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride?

3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride has a molecular weight of 528.93 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carbonyl]-3-fluorophenyl]-4-methyl-1,3-oxazolidin-2-one;hydrochloride is sourced from PubChem (CID 67381361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).