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

C16H21F3N4O — CID 128978590

IUPAC4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC(c3nc(C(F)(F)F)cn3C)C2)oc1C
InChIInChI=1S/C16H21F3N4O/c1-10-11(2)24-14(20-10)9-23-6-4-5-12(7-23)15-21-13(8-22(15)3)16(17,18)19/h8,12H,4-7,9H2,1-3H3
InChIKeyNNXBEURRLJDULN-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.42
Rot. Bonds3

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

4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 128978590) has the molecular formula C16H21F3N4O and a molecular weight of 342.37 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID128978590
Molecular FormulaC16H21F3N4O
Molecular Weight342.37 g/mol
Exact Mass342.17
IUPAC Name4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC(c3nc(C(F)(F)F)cn3C)C2)oc1C
InChIInChI=1S/C16H21F3N4O/c1-10-11(2)24-14(20-10)9-23-6-4-5-12(7-23)15-21-13(8-22(15)3)16(17,18)19/h8,12H,4-7,9H2,1-3H3
InChIKeyNNXBEURRLJDULN-UHFFFAOYSA-N
XLogP3.42
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 128978590) is 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCCC(c3nc(C(F)(F)F)cn3C)C2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is NNXBEURRLJDULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N4O/c1-10-11(2)24-14(20-10)9-23-6-4-5-12(7-23)15-21-13(8-22(15)3)16(17,18)19/h8,12H,4-7,9H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 342.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 128978590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).