2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol

C23H25N3O2 — CID 11610483

IUPAC2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCOCC1
InChIInChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2
InChIKeyGHXYRZWZQQDKIT-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.18
Rot. Bonds5

About 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol

2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol (PubChem CID 11610483) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol.

Molecular Properties

Compound Name2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol
PubChem CID11610483
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCOCC1
InChIInChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2
InChIKeyGHXYRZWZQQDKIT-UHFFFAOYSA-N
XLogP3.18
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol?
The IUPAC name of 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol (CID 11610483) is 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol.
What is the SMILES notation for 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol?
The canonical SMILES for 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)N1CCCOCC1.
What is the InChIKey of 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol?
The InChIKey is GHXYRZWZQQDKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(20-9-4-11-24-17-20,21-10-5-12-25-18-21)22(19-7-2-1-3-8-19)26-13-6-15-28-16-14-26/h1-5,7-12,17-18,22,27H,6,13-16H2.
What are the key properties of 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol?
2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol has a molecular weight of 375.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-oxazepan-4-yl)-2-phenyl-1,1-dipyridin-3-ylethanol is sourced from PubChem (CID 11610483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).