(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane

C18H23N3O3 — CID 75367651

IUPAC(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCOc1ccc(CN2CCOC[C@H](Oc3cccc(C)n3)C2)cn1
InChIInChI=1S/C18H23N3O3/c1-14-4-3-5-18(20-14)24-16-12-21(8-9-23-13-16)11-15-6-7-17(22-2)19-10-15/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyDZFWGGDBXKPWRK-MRXNPFEDSA-N
MW329.40 g/mol
LogP2.07
Rot. Bonds5

About (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane

(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (PubChem CID 75367651) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.

Molecular Properties

Compound Name(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
PubChem CID75367651
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane
SMILESCOc1ccc(CN2CCOC[C@H](Oc3cccc(C)n3)C2)cn1
InChIInChI=1S/C18H23N3O3/c1-14-4-3-5-18(20-14)24-16-12-21(8-9-23-13-16)11-15-6-7-17(22-2)19-10-15/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m1/s1
InChIKeyDZFWGGDBXKPWRK-MRXNPFEDSA-N
XLogP2.07
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The IUPAC name of (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane (CID 75367651) is (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane.
What is the SMILES notation for (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The canonical SMILES for (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is COc1ccc(CN2CCOC[C@H](Oc3cccc(C)n3)C2)cn1.
What is the InChIKey of (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
The InChIKey is DZFWGGDBXKPWRK-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14-4-3-5-18(20-14)24-16-12-21(8-9-23-13-16)11-15-6-7-17(22-2)19-10-15/h3-7,10,16H,8-9,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane?
(6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane has a molecular weight of 329.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[(6-methoxy-3-pyridinyl)methyl]-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepane is sourced from PubChem (CID 75367651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).