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

C14H16F3N5O2 — CID 56821475

IUPAC(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)on1
InChIInChI=1S/C14H16F3N5O2/c1-10-8-11(24-19-10)13(23)21-6-4-20(5-7-21)9-22-3-2-12(18-22)14(15,16)17/h2-3,8H,4-7,9H2,1H3
InChIKeyKKJQVLZPLYSDNA-UHFFFAOYSA-N
MW343.31 g/mol
LogP1.61
Rot. Bonds3

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

(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone (PubChem CID 56821475) has the molecular formula C14H16F3N5O2 and a molecular weight of 343.31 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone
PubChem CID56821475
Molecular FormulaC14H16F3N5O2
Molecular Weight343.31 g/mol
Exact Mass343.13
IUPAC Name(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)on1
InChIInChI=1S/C14H16F3N5O2/c1-10-8-11(24-19-10)13(23)21-6-4-20(5-7-21)9-22-3-2-12(18-22)14(15,16)17/h2-3,8H,4-7,9H2,1H3
InChIKeyKKJQVLZPLYSDNA-UHFFFAOYSA-N
XLogP1.61
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-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

Related Compounds

5,6-dichloro-2-[[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methyl]isoindole-1,3-dione
CID 78890313
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
(3-methyl-1,2-oxazol-5-yl)-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 46960158
4-(3-methyl-1,2-oxazole-5-carbonyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide
CID 86869124
(3,5-dimethylphenyl)-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32517272
methyl 4-(3-methyl-1,2-oxazole-5-carbonyl)piperazine-1-carboxylate
CID 78904854
(4-methylphenyl)-[1-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperidin-4-yl]methanone
CID 86860778
N-(2-fluorophenyl)-2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetamide
CID 78882336
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
[4-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 37399738
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 87017637
N-(2-fluorophenyl)-3-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]propanamide
CID 56524799

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone (CID 56821475) is (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is KKJQVLZPLYSDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2/c1-10-8-11(24-19-10)13(23)21-6-4-20(5-7-21)9-22-3-2-12(18-22)14(15,16)17/h2-3,8H,4-7,9H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone?
(3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 343.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 56821475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).