1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone

C19H19F3N4O2 — CID 58428937

IUPAC1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3cnc4[nH]ccc4c3)o2)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-3-2-6-26(10-11)18-25-16(19(20,21)22)15(28-18)14(27)8-12-7-13-4-5-23-17(13)24-9-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,23,24)
InChIKeyFUSGLCGIKLDJAZ-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.23
Rot. Bonds4

About 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone

1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (PubChem CID 58428937) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
PubChem CID58428937
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone
SMILESCC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3cnc4[nH]ccc4c3)o2)C1
InChIInChI=1S/C19H19F3N4O2/c1-11-3-2-6-26(10-11)18-25-16(19(20,21)22)15(28-18)14(27)8-12-7-13-4-5-23-17(13)24-9-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,23,24)
InChIKeyFUSGLCGIKLDJAZ-UHFFFAOYSA-N
XLogP4.23
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The IUPAC name of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone (CID 58428937) is 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The canonical SMILES for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Cc3cnc4[nH]ccc4c3)o2)C1.
What is the InChIKey of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
The InChIKey is FUSGLCGIKLDJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-11-3-2-6-26(10-11)18-25-16(19(20,21)22)15(28-18)14(27)8-12-7-13-4-5-23-17(13)24-9-12/h4-5,7,9,11H,2-3,6,8,10H2,1H3,(H,23,24).
What are the key properties of 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone?
1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone has a molecular weight of 392.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 58428937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).