3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole

C17H19F3N2O3 — CID 140907731

IUPAC3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole
SMILESCOc1cc(C2CCN(c3cc(C(F)(F)F)ccc3OC)CC2)on1
InChIInChI=1S/C17H19F3N2O3/c1-23-14-4-3-12(17(18,19)20)9-13(14)22-7-5-11(6-8-22)15-10-16(24-2)21-25-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyOBHCVHGGTJKHFX-UHFFFAOYSA-N
MW356.34 g/mol
LogP4.09
Rot. Bonds4

About 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole

3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole (PubChem CID 140907731) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole
PubChem CID140907731
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole
SMILESCOc1cc(C2CCN(c3cc(C(F)(F)F)ccc3OC)CC2)on1
InChIInChI=1S/C17H19F3N2O3/c1-23-14-4-3-12(17(18,19)20)9-13(14)22-7-5-11(6-8-22)15-10-16(24-2)21-25-15/h3-4,9-11H,5-8H2,1-2H3
InChIKeyOBHCVHGGTJKHFX-UHFFFAOYSA-N
XLogP4.09
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187262
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
5-acetyl-2-methoxy-N-[2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 167367546
7-[2-[4-[2-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxy]-2,2-dimethyl-3H-1-benzofuran-5-amine
CID 69174902
2-[8-fluoro-2-[4-(3-methoxyphenyl)piperidin-1-yl]-3-[2-methoxy-5-(trifluoromethyl)phenyl]-4H-quinazolin-4-yl]acetic acid
CID 89432830
5-[2-methoxy-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 82631175
2-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 171327192
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 46689292
1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-propylpiperidin-4-amine
CID 63035987
5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 32655601

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole?
The IUPAC name of 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole (CID 140907731) is 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole is COc1cc(C2CCN(c3cc(C(F)(F)F)ccc3OC)CC2)on1.
What is the InChIKey of 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole?
The InChIKey is OBHCVHGGTJKHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-23-14-4-3-12(17(18,19)20)9-13(14)22-7-5-11(6-8-22)15-10-16(24-2)21-25-15/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole?
3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole has a molecular weight of 356.34 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidin-4-yl]-1,2-oxazole is sourced from PubChem (CID 140907731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).