(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane

C15H23NO2 — CID 75367712

IUPAC(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane
SMILESCC(C)CN1CCOC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-13(2)10-16-8-9-17-12-15(11-16)18-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyOLLIHGPCQXWTCM-OAHLLOKOSA-N
MW249.35 g/mol
LogP2.42
Rot. Bonds4

About (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane

(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane (PubChem CID 75367712) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane
PubChem CID75367712
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane
SMILESCC(C)CN1CCOC[C@H](Oc2ccccc2)C1
InChIInChI=1S/C15H23NO2/c1-13(2)10-16-8-9-17-12-15(11-16)18-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1
InChIKeyOLLIHGPCQXWTCM-OAHLLOKOSA-N
XLogP2.42
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane?
The IUPAC name of (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane (CID 75367712) is (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane.
What is the SMILES notation for (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane?
The canonical SMILES for (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane is CC(C)CN1CCOC[C@H](Oc2ccccc2)C1.
What is the InChIKey of (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane?
The InChIKey is OLLIHGPCQXWTCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23NO2/c1-13(2)10-16-8-9-17-12-15(11-16)18-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3/t15-/m1/s1.
What are the key properties of (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane?
(6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane has a molecular weight of 249.35 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-(2-methylpropyl)-6-phenoxy-1,4-oxazepane is sourced from PubChem (CID 75367712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).