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WWWLTBQXHWGUES-UHFFFAOYSA-N

C14H11F3N4O2 — CID 118379021

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12
InChIInChI=1S/C14H11F3N4O2/c1-20(2)13(22)10-4-19-12-9(11-5-18-7-23-11)3-8(6-21(10)12)14(15,16)17/h3-7H,1-2H3
InChIKeyWWWLTBQXHWGUES-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.71
Rot. Bonds2

About WWWLTBQXHWGUES-UHFFFAOYSA-N

WWWLTBQXHWGUES-UHFFFAOYSA-N (PubChem CID 118379021) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is N,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameWWWLTBQXHWGUES-UHFFFAOYSA-N
PubChem CID118379021
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC NameN,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12
InChIInChI=1S/C14H11F3N4O2/c1-20(2)13(22)10-4-19-12-9(11-5-18-7-23-11)3-8(6-21(10)12)14(15,16)17/h3-7H,1-2H3
InChIKeyWWWLTBQXHWGUES-UHFFFAOYSA-N
XLogP2.71
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of WWWLTBQXHWGUES-UHFFFAOYSA-N?
The IUPAC name of WWWLTBQXHWGUES-UHFFFAOYSA-N (CID 118379021) is N,N-dimethyl-8-(1,3-oxazol-5-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for WWWLTBQXHWGUES-UHFFFAOYSA-N?
The canonical SMILES for WWWLTBQXHWGUES-UHFFFAOYSA-N is CN(C)C(=O)c1cnc2c(-c3cnco3)cc(C(F)(F)F)cn12.
What is the InChIKey of WWWLTBQXHWGUES-UHFFFAOYSA-N?
The InChIKey is WWWLTBQXHWGUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-20(2)13(22)10-4-19-12-9(11-5-18-7-23-11)3-8(6-21(10)12)14(15,16)17/h3-7H,1-2H3.
What are the key properties of WWWLTBQXHWGUES-UHFFFAOYSA-N?
WWWLTBQXHWGUES-UHFFFAOYSA-N has a molecular weight of 324.26 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for WWWLTBQXHWGUES-UHFFFAOYSA-N is sourced from PubChem (CID 118379021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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