1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone

C17H17F3N2O3 — CID 23725431

IUPAC1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ncco1)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H17F3N2O3/c18-17(19,20)25-14-3-1-12(2-4-14)11-22-8-5-13(6-9-22)15(23)16-21-7-10-24-16/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyQXFMIGHKFYQJQH-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.67
Rot. Bonds5

About 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone

1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone (PubChem CID 23725431) has the molecular formula C17H17F3N2O3 and a molecular weight of 354.33 g/mol. Its IUPAC name is 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone
PubChem CID23725431
Molecular FormulaC17H17F3N2O3
Molecular Weight354.33 g/mol
Exact Mass354.12
IUPAC Name1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(c1ncco1)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C17H17F3N2O3/c18-17(19,20)25-14-3-1-12(2-4-14)11-22-8-5-13(6-9-22)15(23)16-21-7-10-24-16/h1-4,7,10,13H,5-6,8-9,11H2
InChIKeyQXFMIGHKFYQJQH-UHFFFAOYSA-N
XLogP3.67
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093441
[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 134093506
[1-(1H-indol-6-ylmethyl)piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725525
oxolan-3-yl-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]methanone
CID 51126733
[1-[(8-chloroquinolin-2-yl)methyl]piperidin-4-yl]-(1,3-oxazol-2-yl)methanone
CID 23725741
[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]-bis[4-(trifluoromethoxy)phenyl]methanol
CID 23373749
(4-hydroxyphenyl)-[1-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidin-4-yl]methanone
CID 86827290
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
2-methoxy-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]acetic acid
CID 177337432
2,2-dimethyl-N-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]propanamide
CID 163352811
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 58073229
2-[(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]acetic acid
CID 97074078

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone?
The IUPAC name of 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone (CID 23725431) is 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone is O=C(c1ncco1)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone?
The InChIKey is QXFMIGHKFYQJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3/c18-17(19,20)25-14-3-1-12(2-4-14)11-22-8-5-13(6-9-22)15(23)16-21-7-10-24-16/h1-4,7,10,13H,5-6,8-9,11H2.
What are the key properties of 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone?
1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone has a molecular weight of 354.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazol-2-yl-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 23725431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).