(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

C15H17F3N4O2 — CID 96514337

IUPAC(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H17F3N4O2/c1-2-11-13(19-8-24-11)14(23)22-5-3-4-9(7-22)10-6-12(21-20-10)15(16,17)18/h6,8-9H,2-5,7H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyQOXJPHARHOOGKU-SECBINFHSA-N
MW342.32 g/mol
LogP3.00
Rot. Bonds3

About (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone

(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (PubChem CID 96514337) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
PubChem CID96514337
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
SMILESCCc1ocnc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1
InChIInChI=1S/C15H17F3N4O2/c1-2-11-13(19-8-24-11)14(23)22-5-3-4-9(7-22)10-6-12(21-20-10)15(16,17)18/h6,8-9H,2-5,7H2,1H3,(H,20,21)/t9-/m1/s1
InChIKeyQOXJPHARHOOGKU-SECBINFHSA-N
XLogP3.00
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 71926893
2-(furan-3-yl)-1-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 167974307
2-(cyclopropylmethoxy)-1-[(3S)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 96514333
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95779103
(5-ethyl-1,3-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95774238
3-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]propanoic acid
CID 119138283
[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 97277772
(4-pyrazol-1-ylpiperidin-4-yl)-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 120936316
[(3S)-4-(5-ethyl-1,3-oxazole-4-carbonyl)-3-methylpiperazin-1-yl]-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 95986872
(5-ethyl-3-methyl-1,2-oxazol-4-yl)-[(3R)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidin-1-yl]methanone
CID 92588234
1-(oxolan-3-ylmethyl)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
CID 71927080
(5-methyl-2H-triazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980244

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone (CID 96514337) is (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is CCc1ocnc1C(=O)N1CCC[C@@H](c2cc(C(F)(F)F)n[nH]2)C1.
What is the InChIKey of (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is QOXJPHARHOOGKU-SECBINFHSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-2-11-13(19-8-24-11)14(23)22-5-3-4-9(7-22)10-6-12(21-20-10)15(16,17)18/h6,8-9H,2-5,7H2,1H3,(H,20,21)/t9-/m1/s1.
What are the key properties of (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone?
(5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 342.32 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-1,3-oxazol-4-yl)-[(3R)-3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 96514337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).