2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole

C18H19N3O3 — CID 75411650

IUPAC2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole
SMILESCc1cccc(O[C@H]2COCCN(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C18H19N3O3/c1-13-5-4-8-17(19-13)23-14-11-21(9-10-22-12-14)18-20-15-6-2-3-7-16(15)24-18/h2-8,14H,9-12H2,1H3/t14-/m1/s1
InChIKeyFEPKTISBOUIBEV-CQSZACIVSA-N
MW325.37 g/mol
LogP2.82
Rot. Bonds3

About 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole

2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole (PubChem CID 75411650) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole
PubChem CID75411650
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole
SMILESCc1cccc(O[C@H]2COCCN(c3nc4ccccc4o3)C2)n1
InChIInChI=1S/C18H19N3O3/c1-13-5-4-8-17(19-13)23-14-11-21(9-10-22-12-14)18-20-15-6-2-3-7-16(15)24-18/h2-8,14H,9-12H2,1H3/t14-/m1/s1
InChIKeyFEPKTISBOUIBEV-CQSZACIVSA-N
XLogP2.82
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole (CID 75411650) is 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole is Cc1cccc(O[C@H]2COCCN(c3nc4ccccc4o3)C2)n1.
What is the InChIKey of 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole?
The InChIKey is FEPKTISBOUIBEV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-5-4-8-17(19-13)23-14-11-21(9-10-22-12-14)18-20-15-6-2-3-7-16(15)24-18/h2-8,14H,9-12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole?
2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole has a molecular weight of 325.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-[(6-methyl-2-pyridinyl)oxy]-1,4-oxazepan-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 75411650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).