5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C22H25F3N6O3 — CID 163291922

IUPAC5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C22H25F3N6O3/c1-11(2)31-19(26)17(20(27)33)18(29-31)13-7-5-12(6-8-13)9-15(32)28-16-10-14(30-34-16)21(3,4)22(23,24)25/h5-8,10-11H,9,26H2,1-4H3,(H2,27,33)(H,28,32)
InChIKeyOCPSBGFSYSOCON-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.82
Rot. Bonds7

About 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163291922) has the molecular formula C22H25F3N6O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID163291922
Molecular FormulaC22H25F3N6O3
Molecular Weight478.48 g/mol
Exact Mass478.19
IUPAC Name5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)no3)cc2)c(C(N)=O)c1N
InChIInChI=1S/C22H25F3N6O3/c1-11(2)31-19(26)17(20(27)33)18(29-31)13-7-5-12(6-8-13)9-15(32)28-16-10-14(30-34-16)21(3,4)22(23,24)25/h5-8,10-11H,9,26H2,1-4H3,(H2,27,33)(H,28,32)
InChIKeyOCPSBGFSYSOCON-UHFFFAOYSA-N
XLogP3.82
TPSA142.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163291922) is 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)no3)cc2)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is OCPSBGFSYSOCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3/c1-11(2)31-19(26)17(20(27)33)18(29-31)13-7-5-12(6-8-13)9-15(32)28-16-10-14(30-34-16)21(3,4)22(23,24)25/h5-8,10-11H,9,26H2,1-4H3,(H2,27,33)(H,28,32).
What are the key properties of 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 478.48 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[2-oxo-2-[[3-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-5-yl]amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163291922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).