3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

C15H13F3N2O2S — CID 25212112

IUPAC3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCc1c(-c2ccc(C(=O)N3CC=CCC3)s2)noc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c1-9-12(19-22-13(9)15(16,17)18)10-5-6-11(23-10)14(21)20-7-3-2-4-8-20/h2-3,5-6H,4,7-8H2,1H3
InChIKeyAWHSWVAOJVOYNX-UHFFFAOYSA-N
MW342.34 g/mol
LogP4.13
Rot. Bonds2

About 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone

3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (PubChem CID 25212112) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.

Molecular Properties

Compound Name3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
PubChem CID25212112
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC Name3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone
SMILESCc1c(-c2ccc(C(=O)N3CC=CCC3)s2)noc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O2S/c1-9-12(19-22-13(9)15(16,17)18)10-5-6-11(23-10)14(21)20-7-3-2-4-8-20/h2-3,5-6H,4,7-8H2,1H3
InChIKeyAWHSWVAOJVOYNX-UHFFFAOYSA-N
XLogP4.13
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The IUPAC name of 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone (CID 25212112) is 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone.
What is the SMILES notation for 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The canonical SMILES for 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is Cc1c(-c2ccc(C(=O)N3CC=CCC3)s2)noc1C(F)(F)F.
What is the InChIKey of 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
The InChIKey is AWHSWVAOJVOYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c1-9-12(19-22-13(9)15(16,17)18)10-5-6-11(23-10)14(21)20-7-3-2-4-8-20/h2-3,5-6H,4,7-8H2,1H3.
What are the key properties of 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone?
3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone has a molecular weight of 342.34 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyridin-1-yl-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanone is sourced from PubChem (CID 25212112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).