N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine

C24H28F3N5O — CID 142679494

IUPACN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C24H28F3N5O/c1-30(11-6-12-31-13-15-32(16-14-31)23-9-4-5-10-28-23)18-19-17-22(29-33-19)20-7-2-3-8-21(20)24(25,26)27/h2-5,7-10,17H,6,11-16,18H2,1H3
InChIKeyXHJALKJMDDFQBW-UHFFFAOYSA-N
MW459.52 g/mol
LogP4.40
Rot. Bonds8

About N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine

N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (PubChem CID 142679494) has the molecular formula C24H28F3N5O and a molecular weight of 459.52 g/mol. Its IUPAC name is N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
PubChem CID142679494
Molecular FormulaC24H28F3N5O
Molecular Weight459.52 g/mol
Exact Mass459.22
IUPAC NameN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccccc2C(F)(F)F)no1
InChIInChI=1S/C24H28F3N5O/c1-30(11-6-12-31-13-15-32(16-14-31)23-9-4-5-10-28-23)18-19-17-22(29-33-19)20-7-2-3-8-21(20)24(25,26)27/h2-5,7-10,17H,6,11-16,18H2,1H3
InChIKeyXHJALKJMDDFQBW-UHFFFAOYSA-N
XLogP4.40
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.52
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (CID 142679494) is N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is CN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccccc2C(F)(F)F)no1.
What is the InChIKey of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The InChIKey is XHJALKJMDDFQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O/c1-30(11-6-12-31-13-15-32(16-14-31)23-9-4-5-10-28-23)18-19-17-22(29-33-19)20-7-2-3-8-21(20)24(25,26)27/h2-5,7-10,17H,6,11-16,18H2,1H3.
What are the key properties of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine has a molecular weight of 459.52 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 142679494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).