N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine

C23H26F3N5O2 — CID 142679986

IUPACN-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCN(CCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C23H26F3N5O2/c1-29(10-11-30-12-14-31(15-13-30)22-4-2-3-9-27-22)17-20-16-21(28-33-20)18-5-7-19(8-6-18)32-23(24,25)26/h2-9,16H,10-15,17H2,1H3
InChIKeyVMOGNGIDJVRDIS-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.89
Rot. Bonds8

About N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine

N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine (PubChem CID 142679986) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
PubChem CID142679986
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine
SMILESCN(CCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C23H26F3N5O2/c1-29(10-11-30-12-14-31(15-13-30)22-4-2-3-9-27-22)17-20-16-21(28-33-20)18-5-7-19(8-6-18)32-23(24,25)26/h2-9,16H,10-15,17H2,1H3
InChIKeyVMOGNGIDJVRDIS-UHFFFAOYSA-N
XLogP3.89
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
The IUPAC name of N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine (CID 142679986) is N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine is CN(CCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
The InChIKey is VMOGNGIDJVRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-29(10-11-30-12-14-31(15-13-30)22-4-2-3-9-27-22)17-20-16-21(28-33-20)18-5-7-19(8-6-18)32-23(24,25)26/h2-9,16H,10-15,17H2,1H3.
What are the key properties of N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine?
N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine has a molecular weight of 461.49 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 142679986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).