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

C24H20F3N5O3 — CID 118273712

IUPAC[4-(1,3-oxazol-4-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(Cc2cocn2)CC1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)17-2-6-22(28-12-17)35-19-3-5-20-16(11-19)1-4-21(30-20)23(33)32-9-7-31(8-10-32)13-18-14-34-15-29-18/h1-6,11-12,14-15H,7-10,13H2
InChIKeyMKRBOYZINNNZHF-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.39
Rot. Bonds5

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

[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (PubChem CID 118273712) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.

Molecular Properties

Compound Name[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone
PubChem CID118273712
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name[4-(1,3-oxazol-4-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(Cc2cocn2)CC1
InChIInChI=1S/C24H20F3N5O3/c25-24(26,27)17-2-6-22(28-12-17)35-19-3-5-20-16(11-19)1-4-21(30-20)23(33)32-9-7-31(8-10-32)13-18-14-34-15-29-18/h1-6,11-12,14-15H,7-10,13H2
InChIKeyMKRBOYZINNNZHF-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

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The IUPAC name of [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone (CID 118273712) is [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone.
What is the SMILES notation for [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The canonical SMILES for [4-(1,3-oxazol-4-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(Cc2cocn2)CC1.
What is the InChIKey of [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
The InChIKey is MKRBOYZINNNZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c25-24(26,27)17-2-6-22(28-12-17)35-19-3-5-20-16(11-19)1-4-21(30-20)23(33)32-9-7-31(8-10-32)13-18-14-34-15-29-18/h1-6,11-12,14-15H,7-10,13H2.
What are the key properties of [4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone?
[4-(1,3-oxazol-4-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-4-ylmethyl)piperazin-1-yl]-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-2-yl]methanone is sourced from PubChem (CID 118273712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).