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

C25H30F3N5O2 — CID 142679930

IUPACN-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C25H30F3N5O2/c1-2-31(12-5-13-32-14-16-33(17-15-32)24-6-3-4-11-29-24)19-22-18-23(30-35-22)20-7-9-21(10-8-20)34-25(26,27)28/h3-4,6-11,18H,2,5,12-17,19H2,1H3
InChIKeyOPISEQKPPGRUNQ-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.67
Rot. Bonds10

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

N-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (PubChem CID 142679930) has the molecular formula C25H30F3N5O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-ethyl-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-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
PubChem CID142679930
Molecular FormulaC25H30F3N5O2
Molecular Weight489.54 g/mol
Exact Mass489.24
IUPAC NameN-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine
SMILESCCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1
InChIInChI=1S/C25H30F3N5O2/c1-2-31(12-5-13-32-14-16-33(17-15-32)24-6-3-4-11-29-24)19-22-18-23(30-35-22)20-7-9-21(10-8-20)34-25(26,27)28/h3-4,6-11,18H,2,5,12-17,19H2,1H3
InChIKeyOPISEQKPPGRUNQ-UHFFFAOYSA-N
XLogP4.67
TPSA57.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-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-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine (CID 142679930) is N-ethyl-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-ethyl-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-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine is CCN(CCCN1CCN(c2ccccn2)CC1)Cc1cc(-c2ccc(OC(F)(F)F)cc2)no1.
What is the InChIKey of N-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
The InChIKey is OPISEQKPPGRUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N5O2/c1-2-31(12-5-13-32-14-16-33(17-15-32)24-6-3-4-11-29-24)19-22-18-23(30-35-22)20-7-9-21(10-8-20)34-25(26,27)28/h3-4,6-11,18H,2,5,12-17,19H2,1H3.
What are the key properties of N-ethyl-3-(4-pyridin-2-ylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1,2-oxazol-5-yl]methyl]propan-1-amine?
N-ethyl-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 489.54 g/mol, XLogP of 4.67, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-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 142679930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).