1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

C26H25F3N6O3 — CID 91171314

IUPAC1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccc(NCCN2CCCC2=O)nc1
InChIInChI=1S/C26H25F3N6O3/c1-17-13-21(25-32-22(16-37-25)19-5-7-20(8-6-19)38-26(27,28)29)33-35(17)15-18-4-9-23(31-14-18)30-10-12-34-11-2-3-24(34)36/h4-9,13-14,16H,2-3,10-12,15H2,1H3,(H,30,31)
InChIKeyMIDVBRVBEGXGGI-UHFFFAOYSA-N
MW526.52 g/mol
LogP4.89
Rot. Bonds9

About 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one

1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (PubChem CID 91171314) has the molecular formula C26H25F3N6O3 and a molecular weight of 526.52 g/mol. Its IUPAC name is 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
PubChem CID91171314
Molecular FormulaC26H25F3N6O3
Molecular Weight526.52 g/mol
Exact Mass526.19
IUPAC Name1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccc(NCCN2CCCC2=O)nc1
InChIInChI=1S/C26H25F3N6O3/c1-17-13-21(25-32-22(16-37-25)19-5-7-20(8-6-19)38-26(27,28)29)33-35(17)15-18-4-9-23(31-14-18)30-10-12-34-11-2-3-24(34)36/h4-9,13-14,16H,2-3,10-12,15H2,1H3,(H,30,31)
InChIKeyMIDVBRVBEGXGGI-UHFFFAOYSA-N
XLogP4.89
TPSA98.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.52
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

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CID 3240488
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US11472811, Example 142B
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one (CID 91171314) is 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccc(NCCN2CCCC2=O)nc1.
What is the InChIKey of 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
The InChIKey is MIDVBRVBEGXGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N6O3/c1-17-13-21(25-32-22(16-37-25)19-5-7-20(8-6-19)38-26(27,28)29)33-35(17)15-18-4-9-23(31-14-18)30-10-12-34-11-2-3-24(34)36/h4-9,13-14,16H,2-3,10-12,15H2,1H3,(H,30,31).
What are the key properties of 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one?
1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one has a molecular weight of 526.52 g/mol, XLogP of 4.89, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-[[5-methyl-3-[4-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-2-yl]pyrazol-1-yl]methyl]-2-pyridinyl]amino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 91171314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).