[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone

C16H23N3O4 — CID 75367637

IUPAC[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(O[C@H]2COCCN(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C16H23N3O4/c1-13-3-2-4-15(17-13)23-14-11-19(7-10-22-12-14)16(20)18-5-8-21-9-6-18/h2-4,14H,5-12H2,1H3/t14-/m1/s1
InChIKeyLYEQRDMZZPETIB-CQSZACIVSA-N
MW321.38 g/mol
LogP0.92
Rot. Bonds2

About [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone

[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone (PubChem CID 75367637) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone
PubChem CID75367637
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone
SMILESCc1cccc(O[C@H]2COCCN(C(=O)N3CCOCC3)C2)n1
InChIInChI=1S/C16H23N3O4/c1-13-3-2-4-15(17-13)23-14-11-19(7-10-22-12-14)16(20)18-5-8-21-9-6-18/h2-4,14H,5-12H2,1H3/t14-/m1/s1
InChIKeyLYEQRDMZZPETIB-CQSZACIVSA-N
XLogP0.92
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone (CID 75367637) is [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone is Cc1cccc(O[C@H]2COCCN(C(=O)N3CCOCC3)C2)n1.
What is the InChIKey of [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LYEQRDMZZPETIB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-13-3-2-4-15(17-13)23-14-11-19(7-10-22-12-14)16(20)18-5-8-21-9-6-18/h2-4,14H,5-12H2,1H3/t14-/m1/s1.
What are the key properties of [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone?
[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 75367637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).