(5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

C18H15F3N4O2S — CID 16672457

IUPAC(5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ncoc1-c1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H15F3N4O2S/c19-18(20,21)12-3-4-14(22-10-12)24-5-7-25(8-6-24)17(26)15-16(27-11-23-15)13-2-1-9-28-13/h1-4,9-11H,5-8H2
InChIKeyDOVAPYFCAYVWSW-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.78
Rot. Bonds3

About (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone

(5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 16672457) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID16672457
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name(5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESO=C(c1ncoc1-c1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H15F3N4O2S/c19-18(20,21)12-3-4-14(22-10-12)24-5-7-25(8-6-24)17(26)15-16(27-11-23-15)13-2-1-9-28-13/h1-4,9-11H,5-8H2
InChIKeyDOVAPYFCAYVWSW-UHFFFAOYSA-N
XLogP3.78
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone (CID 16672457) is (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is O=C(c1ncoc1-c1cccs1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is DOVAPYFCAYVWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c19-18(20,21)12-3-4-14(22-10-12)24-5-7-25(8-6-24)17(26)15-16(27-11-23-15)13-2-1-9-28-13/h1-4,9-11H,5-8H2.
What are the key properties of (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 408.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-thiophen-2-yl-1,3-oxazol-4-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 16672457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).