(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane

C21H21NO — CID 118675691

IUPAC(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
SMILESc1ccc([C@@H]2OCCNC[C@H]2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO/c1-2-7-17(8-3-1)21-20(15-22-12-13-23-21)19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14,20-22H,12-13,15H2/t20-,21-/m0/s1
InChIKeySTZQQINBQFSEJJ-SFTDATJTSA-N
MW303.41 g/mol
LogP4.28
Rot. Bonds2

About (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane

(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane (PubChem CID 118675691) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
PubChem CID118675691
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
SMILESc1ccc([C@@H]2OCCNC[C@H]2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21NO/c1-2-7-17(8-3-1)21-20(15-22-12-13-23-21)19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14,20-22H,12-13,15H2/t20-,21-/m0/s1
InChIKeySTZQQINBQFSEJJ-SFTDATJTSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
The IUPAC name of (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane (CID 118675691) is (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane.
What is the SMILES notation for (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
The canonical SMILES for (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane is c1ccc([C@@H]2OCCNC[C@H]2c2ccc3ccccc3c2)cc1.
What is the InChIKey of (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
The InChIKey is STZQQINBQFSEJJ-SFTDATJTSA-N. The full InChI is InChI=1S/C21H21NO/c1-2-7-17(8-3-1)21-20(15-22-12-13-23-21)19-11-10-16-6-4-5-9-18(16)14-19/h1-11,14,20-22H,12-13,15H2/t20-,21-/m0/s1.
What are the key properties of (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
(6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane has a molecular weight of 303.41 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7R)-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane is sourced from PubChem (CID 118675691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).