(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

C15H20F3N3O3 — CID 136555332

IUPAC(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCC1(N2CCOCC2)CCN(C(=O)c2ncoc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O3/c1-14(21-6-8-23-9-7-21)2-4-20(5-3-14)13(22)11-12(15(16,17)18)24-10-19-11/h10H,2-9H2,1H3
InChIKeyYOHRZMILKFXQLH-UHFFFAOYSA-N
MW347.34 g/mol
LogP2.02
Rot. Bonds2

About (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone

(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (PubChem CID 136555332) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
PubChem CID136555332
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC Name(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
SMILESCC1(N2CCOCC2)CCN(C(=O)c2ncoc2C(F)(F)F)CC1
InChIInChI=1S/C15H20F3N3O3/c1-14(21-6-8-23-9-7-21)2-4-20(5-3-14)13(22)11-12(15(16,17)18)24-10-19-11/h10H,2-9H2,1H3
InChIKeyYOHRZMILKFXQLH-UHFFFAOYSA-N
XLogP2.02
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The IUPAC name of (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone (CID 136555332) is (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The canonical SMILES for (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is CC1(N2CCOCC2)CCN(C(=O)c2ncoc2C(F)(F)F)CC1.
What is the InChIKey of (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
The InChIKey is YOHRZMILKFXQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-14(21-6-8-23-9-7-21)2-4-20(5-3-14)13(22)11-12(15(16,17)18)24-10-19-11/h10H,2-9H2,1H3.
What are the key properties of (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone?
(4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone has a molecular weight of 347.34 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-4-morpholin-4-ylpiperidin-1-yl)-[5-(trifluoromethyl)-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 136555332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).