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

C15H14ClF3N4O2 — CID 9366581

IUPAC[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)no1
InChIInChI=1S/C15H14ClF3N4O2/c1-9-6-12(21-25-9)14(24)23-4-2-22(3-5-23)13-11(16)7-10(8-20-13)15(17,18)19/h6-8H,2-5H2,1H3
InChIKeyAQSFAGMNTKJAMH-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.01
Rot. Bonds2

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

[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 9366581) has the molecular formula C15H14ClF3N4O2 and a molecular weight of 374.75 g/mol. Its IUPAC name is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID9366581
Molecular FormulaC15H14ClF3N4O2
Molecular Weight374.75 g/mol
Exact Mass374.08
IUPAC Name[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)no1
InChIInChI=1S/C15H14ClF3N4O2/c1-9-6-12(21-25-9)14(24)23-4-2-22(3-5-23)13-11(16)7-10(8-20-13)15(17,18)19/h6-8H,2-5H2,1H3
InChIKeyAQSFAGMNTKJAMH-UHFFFAOYSA-N
XLogP3.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 9366581) is [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)no1.
What is the InChIKey of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is AQSFAGMNTKJAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O2/c1-9-6-12(21-25-9)14(24)23-4-2-22(3-5-23)13-11(16)7-10(8-20-13)15(17,18)19/h6-8H,2-5H2,1H3.
What are the key properties of [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 374.75 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 9366581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).