carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

C23H18ClF3N6O4S — CID 160867125

About carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one

carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (PubChem CID 160867125) has the molecular formula C23H18ClF3N6O4S and a molecular weight of 566.95 g/mol. Its IUPAC name is carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• PubChem CID: 160867125
• Molecular Formula: C23H18ClF3N6O4S
• Molecular Weight: 566.95 g/mol
• Exact Mass: 566.08
• IUPAC Name: carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one
• SMILES: C[C@@]1(CC2=C(c3ccn(C(F)F)n3)[C@H](c3ccc(F)cc3Cl)N=C(c3nccs3)N2)COC(=O)N1.O=C=O
• InChI: InChI=1S/C22H18ClF3N6O2S.CO2/c1-22(10-34-21(33)30-22)9-15-16(14-4-6-32(31-14)20(25)26)17(12-3-2-11(24)8-13(12)23)29-18(28-15)19-27-5-7-35-19;2-1-3/h2-8,17,20H,9-10H2,1H3,(H,28,29)(H,30,33);/t17-,22+;/m0./s1
• InChIKey: SLGMIVVRVORYAV-OTCZLQCGSA-N
• XLogP: 4.33
• TPSA: 127.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.95
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The IUPAC name of carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one (CID 160867125) is carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one.

What is the SMILES notation for carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The canonical SMILES for carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is C[C@@]1(CC2=C(c3ccn(C(F)F)n3)[C@H](c3ccc(F)cc3Cl)N=C(c3nccs3)N2)COC(=O)N1.O=C=O.

What is the InChIKey of carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

The InChIKey is SLGMIVVRVORYAV-OTCZLQCGSA-N. The full InChI is InChI=1S/C22H18ClF3N6O2S.CO2/c1-22(10-34-21(33)30-22)9-15-16(14-4-6-32(31-14)20(25)26)17(12-3-2-11(24)8-13(12)23)29-18(28-15)19-27-5-7-35-19;2-1-3/h2-8,17,20H,9-10H2,1H3,(H,28,29)(H,30,33);/t17-,22+;/m0./s1.

What are the key properties of carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one?

carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 566.95 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for carbon dioxide;(4R)-4-[[(4R)-4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 160867125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).