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

C24H28F3N5O2 — CID 142679943

IUPACN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C24H28F3N5O2/c1-30(11-4-12-31-13-15-32(16-14-31)23-5-2-3-10-28-23)18-21-17-22(29-34-21)19-6-8-20(9-7-19)33-24(25,26)27/h2-3,5-10,17H,4,11-16,18H2,1H3
InChIKeyCYUVKZNPMSADQG-UHFFFAOYSA-N
MW475.52 g/mol
LogP4.28
Rot. Bonds9

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

N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (PubChem CID 142679943) has the molecular formula C24H28F3N5O2 and a molecular weight of 475.52 g/mol. Its IUPAC name is N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
PubChem CID142679943
Molecular FormulaC24H28F3N5O2
Molecular Weight475.52 g/mol
Exact Mass475.22
IUPAC NameN-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C24H28F3N5O2/c1-30(11-4-12-31-13-15-32(16-14-31)23-5-2-3-10-28-23)18-21-17-22(29-34-21)19-6-8-20(9-7-19)33-24(25,26)27/h2-3,5-10,17H,4,11-16,18H2,1H3
InChIKeyCYUVKZNPMSADQG-UHFFFAOYSA-N
XLogP4.28
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (CID 142679943) is N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is CN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The InChIKey is CYUVKZNPMSADQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N5O2/c1-30(11-4-12-31-13-15-32(16-14-31)23-5-2-3-10-28-23)18-21-17-22(29-34-21)19-6-8-20(9-7-19)33-24(25,26)27/h2-3,5-10,17H,4,11-16,18H2,1H3.
What are the key properties of N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine has a molecular weight of 475.52 g/mol, XLogP of 4.28, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 142679943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).