5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole

C15H19F3N4O — CID 129351271

IUPAC5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)o1
InChIInChI=1S/C15H19F3N4O/c1-10-6-19-13(23-10)9-22-5-3-4-11(7-22)14-20-12(8-21(14)2)15(16,17)18/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyVTXSJDHJTMRKFD-LLVKDONJSA-N
MW328.34 g/mol
LogP3.11
Rot. Bonds3

About 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole

5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 129351271) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID129351271
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1cnc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)o1
InChIInChI=1S/C15H19F3N4O/c1-10-6-19-13(23-10)9-22-5-3-4-11(7-22)14-20-12(8-21(14)2)15(16,17)18/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1
InChIKeyVTXSJDHJTMRKFD-LLVKDONJSA-N
XLogP3.11
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 129351271) is 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is Cc1cnc(CN2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)o1.
What is the InChIKey of 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is VTXSJDHJTMRKFD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-10-6-19-13(23-10)9-22-5-3-4-11(7-22)14-20-12(8-21(14)2)15(16,17)18/h6,8,11H,3-5,7,9H2,1-2H3/t11-/m1/s1.
What are the key properties of 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 328.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 129351271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).