(5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

C15H17F3N4O2 — CID 129351312

IUPAC(5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C15H17F3N4O2/c1-9-12(19-8-24-9)14(23)22-5-3-4-10(6-22)13-20-11(7-21(13)2)15(16,17)18/h7-8,10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyFMNNFJLLNKNGDD-JTQLQIEISA-N
MW342.32 g/mol
LogP2.76
Rot. Bonds2

About (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone

(5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 129351312) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID129351312
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name(5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1ocnc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1
InChIInChI=1S/C15H17F3N4O2/c1-9-12(19-8-24-9)14(23)22-5-3-4-10(6-22)13-20-11(7-21(13)2)15(16,17)18/h7-8,10H,3-6H2,1-2H3/t10-/m0/s1
InChIKeyFMNNFJLLNKNGDD-JTQLQIEISA-N
XLogP2.76
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 129351312) is (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1ocnc1C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1.
What is the InChIKey of (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is FMNNFJLLNKNGDD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-9-12(19-8-24-9)14(23)22-5-3-4-10(6-22)13-20-11(7-21(13)2)15(16,17)18/h7-8,10H,3-6H2,1-2H3/t10-/m0/s1.
What are the key properties of (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 342.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3-oxazol-4-yl)-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 129351312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).