[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide

C59H45Cl4F6N7O14 — CID 158621376

About [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide

[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide (PubChem CID 158621376) has the molecular formula C59H45Cl4F6N7O14 and a molecular weight of 1331.84 g/mol. Its IUPAC name is [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide.

Molecular Properties

• Compound Name: [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
• PubChem CID: 158621376
• Molecular Formula: C59H45Cl4F6N7O14
• Molecular Weight: 1331.84 g/mol
• Exact Mass: 1329.17
• IUPAC Name: [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide
• SMILES: Cc1ccc(-c2nc(C(CO)Oc3ccc(F)c(C(N)=O)c3F)oc2Cl)cc1.Cc1ccc(-c2nc(C(COC(=O)Cl)Oc3ccc(F)c(C(N)=O)c3F)oc2Cl)cc1.Cc1ccc(-c2nc(C(COC(N)=O)Oc3ccc(F)c(C(N)=O)c3F)oc2Cl)cc1
• InChI: InChI=1S/C20H14Cl2F2N2O5.C20H16ClF2N3O5.C19H15ClF2N2O4/c1-9-2-4-10(5-3-9)16-17(21)31-19(26-16)13(8-29-20(22)28)30-12-7-6-11(23)14(15(12)24)18(25)27;1-9-2-4-10(5-3-9)16-17(21)31-19(26-16)13(8-29-20(25)28)30-12-7-6-11(22)14(15(12)23)18(24)27;1-9-2-4-10(5-3-9)16-17(20)28-19(24-16)13(8-25)27-12-7-6-11(21)14(15(12)22)18(23)26/h2-7,13H,8H2,1H3,(H2,25,27);2-7,13H,8H2,1H3,(H2,24,27)(H2,25,28);2-7,13,25H,8H2,1H3,(H2,23,26)
• InChIKey: HYARSRVXMYMVFL-UHFFFAOYSA-N
• XLogP: 12.86
• TPSA: 333.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 20
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1331.84
LogP ≤ 5	12.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?

The IUPAC name of [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide (CID 158621376) is [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide.

What is the SMILES notation for [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?

The canonical SMILES for [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide is Cc1ccc(-c2nc(C(CO)Oc3ccc(F)c(C(N)=O)c3F)oc2Cl)cc1.Cc1ccc(-c2nc(C(COC(=O)Cl)Oc3ccc(F)c(C(N)=O)c3F)oc2Cl)cc1.Cc1ccc(-c2nc(C(COC(N)=O)Oc3ccc(F)c(C(N)=O)c3F)oc2Cl)cc1.

What is the InChIKey of [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?

The InChIKey is HYARSRVXMYMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2F2N2O5.C20H16ClF2N3O5.C19H15ClF2N2O4/c1-9-2-4-10(5-3-9)16-17(21)31-19(26-16)13(8-29-20(22)28)30-12-7-6-11(23)14(15(12)24)18(25)27;1-9-2-4-10(5-3-9)16-17(21)31-19(26-16)13(8-29-20(25)28)30-12-7-6-11(22)14(15(12)23)18(24)27;1-9-2-4-10(5-3-9)16-17(20)28-19(24-16)13(8-25)27-12-7-6-11(21)14(15(12)22)18(23)26/h2-7,13H,8H2,1H3,(H2,25,27);2-7,13H,8H2,1H3,(H2,24,27)(H2,25,28);2-7,13,25H,8H2,1H3,(H2,23,26).

What are the key properties of [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide?

[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide has a molecular weight of 1331.84 g/mol, XLogP of 12.86, 20 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbamate;[2-(3-carbamoyl-2,4-difluorophenoxy)-2-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]ethyl] carbonochloridate;3-[1-[5-chloro-4-(4-methylphenyl)-1,3-oxazol-2-yl]-2-hydroxyethoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 158621376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).