tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane

C42H47ClF12N6O8 — CID 162185252

About tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane

tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane (PubChem CID 162185252) has the molecular formula C42H47ClF12N6O8 and a molecular weight of 1027.30 g/mol. Its IUPAC name is tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane.

Molecular Properties

• Compound Name: tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane
• PubChem CID: 162185252
• Molecular Formula: C42H47ClF12N6O8
• Molecular Weight: 1027.30 g/mol
• Exact Mass: 1026.30
• IUPAC Name: tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane
• SMILES: C.CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3)on2)CC1.O=C(Cl)OC(C(F)(F)F)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cc(-c3ccccc3)on2)CC1
• InChI: InChI=1S/C19H25N3O3.C18H17F6N3O3.C4HClF6O2.CH4/c1-19(2,3)24-18(23)22-11-9-21(10-12-22)14-16-13-17(25-20-16)15-7-5-4-6-8-15;19-17(20,21)15(18(22,23)24)29-16(28)27-8-6-26(7-9-27)11-13-10-14(30-25-13)12-4-2-1-3-5-12;5-2(12)13-1(3(6,7)8)4(9,10)11;/h4-8,13H,9-12,14H2,1-3H3;1-5,10,15H,6-9,11H2;1H;1H4
• InChIKey: ZPONFMXXRQLPPG-UHFFFAOYSA-N
• XLogP: 10.97
• TPSA: 143.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1027.30
LogP ≤ 5	10.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane?

The IUPAC name of tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane (CID 162185252) is tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane.

What is the SMILES notation for tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane?

The canonical SMILES for tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane is C.CC(C)(C)OC(=O)N1CCN(Cc2cc(-c3ccccc3)on2)CC1.O=C(Cl)OC(C(F)(F)F)C(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cc(-c3ccccc3)on2)CC1.

What is the InChIKey of tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane?

The InChIKey is ZPONFMXXRQLPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.C18H17F6N3O3.C4HClF6O2.CH4/c1-19(2,3)24-18(23)22-11-9-21(10-12-22)14-16-13-17(25-20-16)15-7-5-4-6-8-15;19-17(20,21)15(18(22,23)24)29-16(28)27-8-6-26(7-9-27)11-13-10-14(30-25-13)12-4-2-1-3-5-12;5-2(12)13-1(3(6,7)8)4(9,10)11;/h4-8,13H,9-12,14H2,1-3H3;1-5,10,15H,6-9,11H2;1H;1H4.

What are the key properties of tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane?

tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane has a molecular weight of 1027.30 g/mol, XLogP of 10.97, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;1,1,1,3,3,3-hexafluoropropan-2-yl carbonochloridate;1,1,1,3,3,3-hexafluoropropan-2-yl 4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxylate;methane is sourced from PubChem (CID 162185252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).