N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine

C19H18F3N3O2 — CID 56669211

IUPACN-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N3O2/c1-2-25(11-14-7-9-23-10-8-14)12-16-13-26-18(24-16)15-3-5-17(6-4-15)27-19(20,21)22/h3-10,13H,2,11-12H2,1H3
InChIKeyXWVFDXFBPAIHHG-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.66
Rot. Bonds7

About N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine

N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56669211) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56669211
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N3O2/c1-2-25(11-14-7-9-23-10-8-14)12-16-13-26-18(24-16)15-3-5-17(6-4-15)27-19(20,21)22/h3-10,13H,2,11-12H2,1H3
InChIKeyXWVFDXFBPAIHHG-UHFFFAOYSA-N
XLogP4.66
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine 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 N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (CID 56669211) is N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is CCN(Cc1ccncc1)Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is XWVFDXFBPAIHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-2-25(11-14-7-9-23-10-8-14)12-16-13-26-18(24-16)15-3-5-17(6-4-15)27-19(20,21)22/h3-10,13H,2,11-12H2,1H3.
What are the key properties of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 377.37 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56669211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).