(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone

C17H19F3N4O3 — CID 162881028

IUPAC(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOCC(Oc3ccc(C(F)(F)F)cn3)C2)n(C)n1
InChIInChI=1S/C17H19F3N4O3/c1-11-7-14(23(2)22-11)16(25)24-5-6-26-10-13(9-24)27-15-4-3-12(8-21-15)17(18,19)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3
InChIKeyXWSHDWLFOJNMGM-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.06
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone (PubChem CID 162881028) has the molecular formula C17H19F3N4O3 and a molecular weight of 384.36 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
PubChem CID162881028
Molecular FormulaC17H19F3N4O3
Molecular Weight384.36 g/mol
Exact Mass384.14
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
SMILESCc1cc(C(=O)N2CCOCC(Oc3ccc(C(F)(F)F)cn3)C2)n(C)n1
InChIInChI=1S/C17H19F3N4O3/c1-11-7-14(23(2)22-11)16(25)24-5-6-26-10-13(9-24)27-15-4-3-12(8-21-15)17(18,19)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3
InChIKeyXWSHDWLFOJNMGM-UHFFFAOYSA-N
XLogP2.06
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone with MolForge

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Related Compounds

1,2-oxazol-5-yl-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone
CID 75411567
2-(4-methoxyphenyl)-1-[(6R)-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]ethanone
CID 75367643
[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 75536905
(4-methylthiophen-2-yl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247666
4-[(5-methylfuran-2-yl)methyl]-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepane
CID 162798874
(2-ethyl-5-methylpyrazol-3-yl)-[(6R)-6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 75367743
(2-ethyl-5-methylpyrazol-3-yl)-[6-(4-methoxyphenoxy)-1,4-oxazepan-4-yl]methanone
CID 162813442
1-[4-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidine-1-carbonyl]piperidin-1-yl]ethanone
CID 122247458
(3,4,5-triethoxyphenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247512
cyclopropyl-[(6R)-6-[4-(trifluoromethyl)phenoxy]-1,4-oxazepan-4-yl]methanone
CID 75536872
pyridin-3-yl-[(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 97158981
(4-methyl-3-nitrophenyl)-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]methanone
CID 122247534

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone (CID 162881028) is (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone is Cc1cc(C(=O)N2CCOCC(Oc3ccc(C(F)(F)F)cn3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
The InChIKey is XWSHDWLFOJNMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O3/c1-11-7-14(23(2)22-11)16(25)24-5-6-26-10-13(9-24)27-15-4-3-12(8-21-15)17(18,19)20/h3-4,7-8,13H,5-6,9-10H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone has a molecular weight of 384.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-1,4-oxazepan-4-yl]methanone is sourced from PubChem (CID 162881028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).