[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

C23H26F3N3O3 — CID 53168404

IUPAC[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C23H26F3N3O3/c1-15-19(22(31)28-10-3-2-4-11-28)27-20(32-15)16-8-12-29(13-9-16)21(30)17-6-5-7-18(14-17)23(24,25)26/h5-7,14,16H,2-4,8-13H2,1H3
InChIKeyLXQADYLZQSPWSE-UHFFFAOYSA-N
MW449.47 g/mol
LogP4.65
Rot. Bonds3

About [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone

[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 53168404) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
PubChem CID53168404
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
SMILESCc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C23H26F3N3O3/c1-15-19(22(31)28-10-3-2-4-11-28)27-20(32-15)16-8-12-29(13-9-16)21(30)17-6-5-7-18(14-17)23(24,25)26/h5-7,14,16H,2-4,8-13H2,1H3
InChIKeyLXQADYLZQSPWSE-UHFFFAOYSA-N
XLogP4.65
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone (CID 53168404) is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is Cc1oc(C2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is LXQADYLZQSPWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-15-19(22(31)28-10-3-2-4-11-28)27-20(32-15)16-8-12-29(13-9-16)21(30)17-6-5-7-18(14-17)23(24,25)26/h5-7,14,16H,2-4,8-13H2,1H3.
What are the key properties of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone?
[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 449.47 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53168404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).