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

C16H19F3N4O2 — CID 128980212

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)o1
InChIInChI=1S/C16H19F3N4O2/c1-9-13(25-10(2)20-9)15(24)23-6-4-5-11(7-23)14-21-12(8-22(14)3)16(17,18)19/h8,11H,4-7H2,1-3H3
InChIKeyHRMPCRSDXQAYOQ-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.06
Rot. Bonds2

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (PubChem CID 128980212) has the molecular formula C16H19F3N4O2 and a molecular weight of 356.35 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
PubChem CID128980212
Molecular FormulaC16H19F3N4O2
Molecular Weight356.35 g/mol
Exact Mass356.15
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)o1
InChIInChI=1S/C16H19F3N4O2/c1-9-13(25-10(2)20-9)15(24)23-6-4-5-11(7-23)14-21-12(8-22(14)3)16(17,18)19/h8,11H,4-7H2,1-3H3
InChIKeyHRMPCRSDXQAYOQ-UHFFFAOYSA-N
XLogP3.06
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone (CID 128980212) is (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCCC(c3nc(C(F)(F)F)cn3C)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is HRMPCRSDXQAYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2/c1-9-13(25-10(2)20-9)15(24)23-6-4-5-11(7-23)14-21-12(8-22(14)3)16(17,18)19/h8,11H,4-7H2,1-3H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 356.35 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 128980212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).