[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone

C17H16F3N3O3 — CID 75536905

IUPAC[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)13-3-1-12(2-4-13)16(24)23-7-8-25-11-14(10-23)26-15-9-21-5-6-22-15/h1-6,9,14H,7-8,10-11H2/t14-/m1/s1
InChIKeyMEEHWPYQKSAIMR-CQSZACIVSA-N
MW367.33 g/mol
LogP2.42
Rot. Bonds3

About [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone

[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 75536905) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID75536905
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C17H16F3N3O3/c18-17(19,20)13-3-1-12(2-4-13)16(24)23-7-8-25-11-14(10-23)26-15-9-21-5-6-22-15/h1-6,9,14H,7-8,10-11H2/t14-/m1/s1
InChIKeyMEEHWPYQKSAIMR-CQSZACIVSA-N
XLogP2.42
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 75536905) is [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCOC[C@H](Oc2cnccn2)C1.
What is the InChIKey of [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is MEEHWPYQKSAIMR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c18-17(19,20)13-3-1-12(2-4-13)16(24)23-7-8-25-11-14(10-23)26-15-9-21-5-6-22-15/h1-6,9,14H,7-8,10-11H2/t14-/m1/s1.
What are the key properties of [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone?
[(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 367.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-pyrazin-2-yloxy-1,4-oxazepan-4-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 75536905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).