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

C19H18F3N3O — CID 56663509

IUPACN-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N3O/c1-2-25(11-14-7-9-23-10-8-14)12-17-13-26-18(24-17)15-3-5-16(6-4-15)19(20,21)22/h3-10,13H,2,11-12H2,1H3
InChIKeyWRNWCOVVBNATHK-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.78
Rot. Bonds6

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

N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (PubChem CID 56663509) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
PubChem CID56663509
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine
SMILESCCN(Cc1ccncc1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C19H18F3N3O/c1-2-25(11-14-7-9-23-10-8-14)12-17-13-26-18(24-17)15-3-5-16(6-4-15)19(20,21)22/h3-10,13H,2,11-12H2,1H3
InChIKeyWRNWCOVVBNATHK-UHFFFAOYSA-N
XLogP4.78
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The IUPAC name of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine (CID 56663509) is N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is CCN(Cc1ccncc1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
The InChIKey is WRNWCOVVBNATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-2-25(11-14-7-9-23-10-8-14)12-17-13-26-18(24-17)15-3-5-16(6-4-15)19(20,21)22/h3-10,13H,2,11-12H2,1H3.
What are the key properties of N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine?
N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine has a molecular weight of 361.37 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-N-[[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 56663509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).