1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C17H16F3N3O2 — CID 162379796

IUPAC1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC1OC(c2cccnc2)CN1C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H16F3N3O2/c1-11-23(10-14(25-11)13-3-2-6-21-9-13)16(24)7-12-4-5-15(22-8-12)17(18,19)20/h2-6,8-9,11,14H,7,10H2,1H3
InChIKeyCZWAOXDBIYHKSE-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.98
Rot. Bonds3

About 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone

1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 162379796) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID162379796
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCC1OC(c2cccnc2)CN1C(=O)Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C17H16F3N3O2/c1-11-23(10-14(25-11)13-3-2-6-21-9-13)16(24)7-12-4-5-15(22-8-12)17(18,19)20/h2-6,8-9,11,14H,7,10H2,1H3
InChIKeyCZWAOXDBIYHKSE-UHFFFAOYSA-N
XLogP2.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379650
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)Ethyl]-N-Propyl-2-[6-(Trifluoromethyl)-3-Pyridyl]Acetamide
CID 162379661
tert-butyl N-[5-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]pentyl]carbamate
CID 162379665
N-[2-hydroxy-2-(4-methyl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379668
N-[2-hydroxy-2-(4-propan-2-yl-3-pyridinyl)ethyl]-N-(oxetan-3-ylmethyl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379679
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propyl-2-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 162379695
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-propan-2-yl-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379713
tert-butyl N-[2-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]ethyl]carbamate
CID 162379714
N-benzyl-N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379727
N-[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-N-(oxetan-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 162379778
Preparation of N-[(2S)-2-Hydroxy-2-(3-Pyridyl)ethyl]-N-Propyl-2-[6-(Trifluoromethyl)Pyridazin-3-yl]Acetamide
CID 162379788
tert-butyl N-[3-[[(2S)-2-hydroxy-2-pyridin-3-ylethyl]-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]amino]propyl]carbamate
CID 162379793

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 162379796) is 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone is CC1OC(c2cccnc2)CN1C(=O)Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is CZWAOXDBIYHKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c1-11-23(10-14(25-11)13-3-2-6-21-9-13)16(24)7-12-4-5-15(22-8-12)17(18,19)20/h2-6,8-9,11,14H,7,10H2,1H3.
What are the key properties of 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 351.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-pyridin-3-yl-1,3-oxazolidin-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 162379796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).