[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

C24H20F3N5O3 — CID 118273452

IUPAC[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(Cc2ncco2)CC1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)17-2-6-21(29-14-17)35-18-3-5-19-16(13-18)1-4-20(30-19)23(33)32-10-8-31(9-11-32)15-22-28-7-12-34-22/h1-7,12-14H,8-11,15H2
InChIKeyQYPGRKGSCYPOAK-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.39
Rot. Bonds5

About [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone

[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273452) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273452
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
SMILESO=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(Cc2ncco2)CC1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)17-2-6-21(29-14-17)35-18-3-5-19-16(13-18)1-4-20(30-19)23(33)32-10-8-31(9-11-32)15-22-28-7-12-34-22/h1-7,12-14H,8-11,15H2
InChIKeyQYPGRKGSCYPOAK-UHFFFAOYSA-N
XLogP4.39
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone 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 [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273452) is [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(Cc2ncco2)CC1.
What is the InChIKey of [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is QYPGRKGSCYPOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c25-24(26,27)17-2-6-21(29-14-17)35-18-3-5-19-16(13-18)1-4-20(30-19)23(33)32-10-8-31(9-11-32)15-22-28-7-12-34-22/h1-7,12-14H,8-11,15H2.
What are the key properties of [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone has a molecular weight of 483.45 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).