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

C14H12ClF3N4O2 — CID 136558224

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1ocnc1C(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H12ClF3N4O2/c15-9-1-2-10(19-7-9)21-3-5-22(6-4-21)13(23)11-12(14(16,17)18)20-8-24-11/h1-2,7-8H,3-6H2
InChIKeyGRFFELKLKFQVCC-UHFFFAOYSA-N
MW360.72 g/mol
LogP2.70
Rot. Bonds2

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

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (PubChem CID 136558224) has the molecular formula C14H12ClF3N4O2 and a molecular weight of 360.72 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
PubChem CID136558224
Molecular FormulaC14H12ClF3N4O2
Molecular Weight360.72 g/mol
Exact Mass360.06
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone
SMILESO=C(c1ocnc1C(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C14H12ClF3N4O2/c15-9-1-2-10(19-7-9)21-3-5-22(6-4-21)13(23)11-12(14(16,17)18)20-8-24-11/h1-2,7-8H,3-6H2
InChIKeyGRFFELKLKFQVCC-UHFFFAOYSA-N
XLogP2.70
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.72
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone (CID 136558224) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is O=C(c1ocnc1C(F)(F)F)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
The InChIKey is GRFFELKLKFQVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N4O2/c15-9-1-2-10(19-7-9)21-3-5-22(6-4-21)13(23)11-12(14(16,17)18)20-8-24-11/h1-2,7-8H,3-6H2.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone has a molecular weight of 360.72 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-[4-(trifluoromethyl)-1,3-oxazol-5-yl]methanone is sourced from PubChem (CID 136558224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).