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

C22H23NO — CID 118675533

IUPAC(6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
SMILESCN1CCO[C@@H](c2ccccc2)[C@@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C22H23NO/c1-23-13-14-24-22(18-8-3-2-4-9-18)21(16-23)20-12-11-17-7-5-6-10-19(17)15-20/h2-12,15,21-22H,13-14,16H2,1H3/t21-,22+/m1/s1
InChIKeyZHTDXMSHUPCRLP-YADHBBJMSA-N
MW317.43 g/mol
LogP4.63
Rot. Bonds2

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

(6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane (PubChem CID 118675533) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane.

Molecular Properties

Compound Name(6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
PubChem CID118675533
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name(6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane
SMILESCN1CCO[C@@H](c2ccccc2)[C@@H](c2ccc3ccccc3c2)C1
InChIInChI=1S/C22H23NO/c1-23-13-14-24-22(18-8-3-2-4-9-18)21(16-23)20-12-11-17-7-5-6-10-19(17)15-20/h2-12,15,21-22H,13-14,16H2,1H3/t21-,22+/m1/s1
InChIKeyZHTDXMSHUPCRLP-YADHBBJMSA-N
XLogP4.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 97355477
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
(2S,3S)-3,4-dimethyl-2-phenylmorpholine;hydron;chloride
CID 50986664
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
(5S,6S)-2-chloro-3,3-dimethyl-5-naphthalen-2-yl-6-phenyl-1,3-oxazinan-3-ium
CID 90710322
(2R)-2-naphthalen-2-yloxirane
CID 10877557
(3R,4R)-1,2-dimethyl-4-naphthalen-2-ylpiperidine-3-carboxylic acid
CID 68654438
2-[(1S,2S)-4,4-dimethyl-2-naphthalen-2-ylcyclopentyl]naphthalene
CID 132563382
trans-(1R,2S)-2-naphthalen-2-ylcyclopropan-1-amine
CID 51888201
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638

Frequently Asked Questions

What is the IUPAC name of (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
The IUPAC name of (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane (CID 118675533) is (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane.
What is the SMILES notation for (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
The canonical SMILES for (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane is CN1CCO[C@@H](c2ccccc2)[C@@H](c2ccc3ccccc3c2)C1.
What is the InChIKey of (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
The InChIKey is ZHTDXMSHUPCRLP-YADHBBJMSA-N. The full InChI is InChI=1S/C22H23NO/c1-23-13-14-24-22(18-8-3-2-4-9-18)21(16-23)20-12-11-17-7-5-6-10-19(17)15-20/h2-12,15,21-22H,13-14,16H2,1H3/t21-,22+/m1/s1.
What are the key properties of (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane?
(6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane has a molecular weight of 317.43 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-4-methyl-6-naphthalen-2-yl-7-phenyl-1,4-oxazepane is sourced from PubChem (CID 118675533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).