methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C24H21ClF3N7O4S — CID 142603637

About methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 142603637) has the molecular formula C24H21ClF3N7O4S and a molecular weight of 595.99 g/mol. Its IUPAC name is methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• PubChem CID: 142603637
• Molecular Formula: C24H21ClF3N7O4S
• Molecular Weight: 595.99 g/mol
• Exact Mass: 595.10
• IUPAC Name: methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
• SMILES: COC(=O)NCC1CN(CC2=C(c3ccn(C(F)F)n3)C(c3ccc(F)cc3Cl)N=C(c3nccs3)N2)C(=O)O1
• InChI: InChI=1S/C24H21ClF3N7O4S/c1-38-23(36)30-9-13-10-34(24(37)39-13)11-17-18(16-4-6-35(33-16)22(27)28)19(14-3-2-12(26)8-15(14)25)32-20(31-17)21-29-5-7-40-21/h2-8,13,19,22H,9-11H2,1H3,(H,30,36)(H,31,32)
• InChIKey: IVENTSBMDCCXMH-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 122.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.99
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The IUPAC name of methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 142603637) is methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

What is the SMILES notation for methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The canonical SMILES for methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NCC1CN(CC2=C(c3ccn(C(F)F)n3)C(c3ccc(F)cc3Cl)N=C(c3nccs3)N2)C(=O)O1.

What is the InChIKey of methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

The InChIKey is IVENTSBMDCCXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF3N7O4S/c1-38-23(36)30-9-13-10-34(24(37)39-13)11-17-18(16-4-6-35(33-16)22(27)28)19(14-3-2-12(26)8-15(14)25)32-20(31-17)21-29-5-7-40-21/h2-8,13,19,22H,9-11H2,1H3,(H,30,36)(H,31,32).

What are the key properties of methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?

methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 595.99 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[[3-[[4-(2-chloro-4-fluorophenyl)-5-[1-(difluoromethyl)pyrazol-3-yl]-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 142603637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).