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

C15H19F3N4O — CID 129006534

IUPAC4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)oc1C
InChIInChI=1S/C15H19F3N4O/c1-9-10(2)23-13(20-9)8-22-5-3-4-11(7-22)14-19-6-12(21-14)15(16,17)18/h6,11H,3-5,7-8H2,1-2H3,(H,19,21)
InChIKeySFQZZZMCHQTWON-UHFFFAOYSA-N
MW328.34 g/mol
LogP3.41
Rot. Bonds3

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

4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (PubChem CID 129006534) has the molecular formula C15H19F3N4O and a molecular weight of 328.34 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
PubChem CID129006534
Molecular FormulaC15H19F3N4O
Molecular Weight328.34 g/mol
Exact Mass328.15
IUPAC Name4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole
SMILESCc1nc(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)oc1C
InChIInChI=1S/C15H19F3N4O/c1-9-10(2)23-13(20-9)8-22-5-3-4-11(7-22)14-19-6-12(21-14)15(16,17)18/h6,11H,3-5,7-8H2,1-2H3,(H,19,21)
InChIKeySFQZZZMCHQTWON-UHFFFAOYSA-N
XLogP3.41
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole (CID 129006534) is 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is Cc1nc(CN2CCCC(c3ncc(C(F)(F)F)[nH]3)C2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
The InChIKey is SFQZZZMCHQTWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N4O/c1-9-10(2)23-13(20-9)8-22-5-3-4-11(7-22)14-19-6-12(21-14)15(16,17)18/h6,11H,3-5,7-8H2,1-2H3,(H,19,21).
What are the key properties of 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole?
4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole has a molecular weight of 328.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 129006534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).