(6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane

C23H25NO2 — CID 156549501

IUPAC(6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
SMILESc1ccc(CO[C@@H]2COCCN(Cc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H25NO2/c1-2-7-19(8-3-1)17-26-22-16-24(13-14-25-18-22)15-21-11-6-10-20-9-4-5-12-23(20)21/h1-12,22H,13-18H2/t22-/m0/s1
InChIKeyRLJHYKHMAMTNBR-QFIPXVFZSA-N
MW347.46 g/mol
LogP4.26
Rot. Bonds5

About (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane

(6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane (PubChem CID 156549501) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane.

Molecular Properties

Compound Name(6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
PubChem CID156549501
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane
SMILESc1ccc(CO[C@@H]2COCCN(Cc3cccc4ccccc34)C2)cc1
InChIInChI=1S/C23H25NO2/c1-2-7-19(8-3-1)17-26-22-16-24(13-14-25-18-22)15-21-11-6-10-20-9-4-5-12-23(20)21/h1-12,22H,13-18H2/t22-/m0/s1
InChIKeyRLJHYKHMAMTNBR-QFIPXVFZSA-N
XLogP4.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
The IUPAC name of (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane (CID 156549501) is (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane.
What is the SMILES notation for (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
The canonical SMILES for (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane is c1ccc(CO[C@@H]2COCCN(Cc3cccc4ccccc34)C2)cc1.
What is the InChIKey of (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
The InChIKey is RLJHYKHMAMTNBR-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO2/c1-2-7-19(8-3-1)17-26-22-16-24(13-14-25-18-22)15-21-11-6-10-20-9-4-5-12-23(20)21/h1-12,22H,13-18H2/t22-/m0/s1.
What are the key properties of (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane?
(6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane has a molecular weight of 347.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4-(naphthalen-1-ylmethyl)-6-phenylmethoxy-1,4-oxazepane is sourced from PubChem (CID 156549501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).