(6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane

C18H19F3N2O3 — CID 75411615

IUPAC(6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane
SMILESFC(F)(F)Oc1ccc(CN2CCOC[C@H](Oc3cccnc3)C2)cc1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)26-15-5-3-14(4-6-15)11-23-8-9-24-13-17(12-23)25-16-2-1-7-22-10-16/h1-7,10,17H,8-9,11-13H2/t17-/m1/s1
InChIKeyNXXGWCWQOVYWOQ-QGZVFWFLSA-N
MW368.36 g/mol
LogP3.26
Rot. Bonds5

About (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane

(6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane (PubChem CID 75411615) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane
PubChem CID75411615
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name(6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane
SMILESFC(F)(F)Oc1ccc(CN2CCOC[C@H](Oc3cccnc3)C2)cc1
InChIInChI=1S/C18H19F3N2O3/c19-18(20,21)26-15-5-3-14(4-6-15)11-23-8-9-24-13-17(12-23)25-16-2-1-7-22-10-16/h1-7,10,17H,8-9,11-13H2/t17-/m1/s1
InChIKeyNXXGWCWQOVYWOQ-QGZVFWFLSA-N
XLogP3.26
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane?
The IUPAC name of (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane (CID 75411615) is (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane.
What is the SMILES notation for (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane?
The canonical SMILES for (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane is FC(F)(F)Oc1ccc(CN2CCOC[C@H](Oc3cccnc3)C2)cc1.
What is the InChIKey of (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane?
The InChIKey is NXXGWCWQOVYWOQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c19-18(20,21)26-15-5-3-14(4-6-15)11-23-8-9-24-13-17(12-23)25-16-2-1-7-22-10-16/h1-7,10,17H,8-9,11-13H2/t17-/m1/s1.
What are the key properties of (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane?
(6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane has a molecular weight of 368.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-pyridin-3-yloxy-4-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-oxazepane is sourced from PubChem (CID 75411615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).