(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane

C18H28N2O2 — CID 92858965

IUPAC(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane
SMILESCC1(C)CN(Cc2ccccc2)CCO[C@@H]1N1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-18(2)15-19(14-16-6-4-3-5-7-16)8-13-22-17(18)20-9-11-21-12-10-20/h3-7,17H,8-15H2,1-2H3/t17-/m0/s1
InChIKeyITRDUFRBZQOUCA-KRWDZBQOSA-N
MW304.43 g/mol
LogP2.20
Rot. Bonds3

About (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane

(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane (PubChem CID 92858965) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane.

Molecular Properties

Compound Name(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane
PubChem CID92858965
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane
SMILESCC1(C)CN(Cc2ccccc2)CCO[C@@H]1N1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-18(2)15-19(14-16-6-4-3-5-7-16)8-13-22-17(18)20-9-11-21-12-10-20/h3-7,17H,8-15H2,1-2H3/t17-/m0/s1
InChIKeyITRDUFRBZQOUCA-KRWDZBQOSA-N
XLogP2.20
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane?
The IUPAC name of (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane (CID 92858965) is (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane.
What is the SMILES notation for (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane?
The canonical SMILES for (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane is CC1(C)CN(Cc2ccccc2)CCO[C@@H]1N1CCOCC1.
What is the InChIKey of (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane?
The InChIKey is ITRDUFRBZQOUCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2)15-19(14-16-6-4-3-5-7-16)8-13-22-17(18)20-9-11-21-12-10-20/h3-7,17H,8-15H2,1-2H3/t17-/m0/s1.
What are the key properties of (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane?
(7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane has a molecular weight of 304.43 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-4-benzyl-6,6-dimethyl-7-morpholin-4-yl-1,4-oxazepane is sourced from PubChem (CID 92858965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).