2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

C43H45F12N9O7 — CID 161480186

IUPAC2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESCc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)CCC(=O)NCC(F)(F)F.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)O.NCC(=O)NCC(F)(F)F
InChIInChI=1S/C22H22F6N4O3.C17H16F3N3O3.C4H7F3N2O/c1-12-8-13(4-5-14(12)16(33)6-7-19(34)29-11-21(23,24)25)15-10-20(2,35-31-15)18-9-17(22(26,27)28)30-32(18)3;1-9-6-10(4-5-11(9)15(24)25)12-8-16(2,26-22-12)14-7-13(17(18,19)20)21-23(14)3;5-4(6,7)2-9-3(10)1-8/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,29,34);4-7H,8H2,1-3H3,(H,24,25);1-2,8H2,(H,9,10)
InChIKeyWEGGVAZUIYZIGR-UHFFFAOYSA-N
MW1027.86 g/mol
LogP7.54
Rot. Bonds12

About 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 161480186) has the molecular formula C43H45F12N9O7 and a molecular weight of 1027.86 g/mol. Its IUPAC name is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID161480186
Molecular FormulaC43H45F12N9O7
Molecular Weight1027.86 g/mol
Exact Mass1027.33
IUPAC Name2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide
SMILESCc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)CCC(=O)NCC(F)(F)F.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)O.NCC(=O)NCC(F)(F)F
InChIInChI=1S/C22H22F6N4O3.C17H16F3N3O3.C4H7F3N2O/c1-12-8-13(4-5-14(12)16(33)6-7-19(34)29-11-21(23,24)25)15-10-20(2,35-31-15)18-9-17(22(26,27)28)30-32(18)3;1-9-6-10(4-5-11(9)15(24)25)12-8-16(2,26-22-12)14-7-13(17(18,19)20)21-23(14)3;5-4(6,7)2-9-3(10)1-8/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,29,34);4-7H,8H2,1-3H3,(H,24,25);1-2,8H2,(H,9,10)
InChIKeyWEGGVAZUIYZIGR-UHFFFAOYSA-N
XLogP7.54
TPSA217.41 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.86
LogP ≤ 57.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide (CID 161480186) is 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)CCC(=O)NCC(F)(F)F.Cc1cc(C2=NOC(C)(c3cc(C(F)(F)F)nn3C)C2)ccc1C(=O)O.NCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is WEGGVAZUIYZIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F6N4O3.C17H16F3N3O3.C4H7F3N2O/c1-12-8-13(4-5-14(12)16(33)6-7-19(34)29-11-21(23,24)25)15-10-20(2,35-31-15)18-9-17(22(26,27)28)30-32(18)3;1-9-6-10(4-5-11(9)15(24)25)12-8-16(2,26-22-12)14-7-13(17(18,19)20)21-23(14)3;5-4(6,7)2-9-3(10)1-8/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,29,34);4-7H,8H2,1-3H3,(H,24,25);1-2,8H2,(H,9,10).
What are the key properties of 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 1027.86 g/mol, XLogP of 7.54, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2,2-trifluoroethyl)acetamide;2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]benzoic acid;4-[2-methyl-4-[5-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-4H-1,2-oxazol-3-yl]phenyl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 161480186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).