3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

C12H15F3N2O3S — CID 78875705

IUPAC3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCOCC1CCCO1)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)9-7-21-11(16-9)17-10(18)3-5-19-6-8-2-1-4-20-8/h7-8H,1-6H2,(H,16,17,18)
InChIKeyXVUZIURNRJHYJI-UHFFFAOYSA-N
MW324.32 g/mol
LogP2.69
Rot. Bonds6

About 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide

3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 78875705) has the molecular formula C12H15F3N2O3S and a molecular weight of 324.32 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
PubChem CID78875705
Molecular FormulaC12H15F3N2O3S
Molecular Weight324.32 g/mol
Exact Mass324.08
IUPAC Name3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCOCC1CCCO1)Nc1nc(C(F)(F)F)cs1
InChIInChI=1S/C12H15F3N2O3S/c13-12(14,15)9-7-21-11(16-9)17-10(18)3-5-19-6-8-2-1-4-20-8/h7-8H,1-6H2,(H,16,17,18)
InChIKeyXVUZIURNRJHYJI-UHFFFAOYSA-N
XLogP2.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.32
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide 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 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide (CID 78875705) is 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is O=C(CCOCC1CCCO1)Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is XVUZIURNRJHYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O3S/c13-12(14,15)9-7-21-11(16-9)17-10(18)3-5-19-6-8-2-1-4-20-8/h7-8H,1-6H2,(H,16,17,18).
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide?
3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 324.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 78875705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).