(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane

C18H21NO2 — CID 53237594

IUPAC(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane
SMILESCOc1ccc([C@@H]2OCCNC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-9-7-15(8-10-16)18-17(13-19-11-12-21-18)14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3/t17-,18+/m1/s1
InChIKeyODYAKKJTFWFJCN-MSOLQXFVSA-N
MW283.37 g/mol
LogP3.14
Rot. Bonds3

About (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane

(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane (PubChem CID 53237594) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane
PubChem CID53237594
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane
SMILESCOc1ccc([C@@H]2OCCNC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H21NO2/c1-20-16-9-7-15(8-10-16)18-17(13-19-11-12-21-18)14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3/t17-,18+/m1/s1
InChIKeyODYAKKJTFWFJCN-MSOLQXFVSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane?
The IUPAC name of (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane (CID 53237594) is (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane.
What is the SMILES notation for (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane?
The canonical SMILES for (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane is COc1ccc([C@@H]2OCCNC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane?
The InChIKey is ODYAKKJTFWFJCN-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H21NO2/c1-20-16-9-7-15(8-10-16)18-17(13-19-11-12-21-18)14-5-3-2-4-6-14/h2-10,17-19H,11-13H2,1H3/t17-,18+/m1/s1.
What are the key properties of (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane?
(6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane has a molecular weight of 283.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-7-(4-methoxyphenyl)-6-phenyl-1,4-oxazepane is sourced from PubChem (CID 53237594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).