N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine

C23H24F3N3O2 — CID 45245587

IUPACN-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C23H24F3N3O2/c1-16-21(28-22(31-16)18-4-6-19(7-5-18)23(24,25)26)15-29(14-20-3-2-12-30-20)13-17-8-10-27-11-9-17/h4-11,20H,2-3,12-15H2,1H3
InChIKeyQJIYLCUAKIYJPX-UHFFFAOYSA-N
MW431.46 g/mol
LogP5.25
Rot. Bonds7

About N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine

N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 45245587) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
PubChem CID45245587
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC NameN-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
SMILESCc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(Cc1ccncc1)CC1CCCO1
InChIInChI=1S/C23H24F3N3O2/c1-16-21(28-22(31-16)18-4-6-19(7-5-18)23(24,25)26)15-29(14-20-3-2-12-30-20)13-17-8-10-27-11-9-17/h4-11,20H,2-3,12-15H2,1H3
InChIKeyQJIYLCUAKIYJPX-UHFFFAOYSA-N
XLogP5.25
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine 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-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine (CID 45245587) is N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine is Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CN(Cc1ccncc1)CC1CCCO1.
What is the InChIKey of N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is QJIYLCUAKIYJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-16-21(28-22(31-16)18-4-6-19(7-5-18)23(24,25)26)15-29(14-20-3-2-12-30-20)13-17-8-10-27-11-9-17/h4-11,20H,2-3,12-15H2,1H3.
What are the key properties of N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine?
N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 431.46 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 45245587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).