(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone

C21H20N2O2S — CID 154840190

IUPAC(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2cccnc2)s1)N1CCCOC(c2ccccc2)C1
InChIInChI=1S/C21H20N2O2S/c24-21(20-10-9-19(26-20)17-8-4-11-22-14-17)23-12-5-13-25-18(15-23)16-6-2-1-3-7-16/h1-4,6-11,14,18H,5,12-13,15H2
InChIKeyUOSWXVVYSZIWPA-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.41
Rot. Bonds3

About (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone

(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone (PubChem CID 154840190) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone
PubChem CID154840190
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC Name(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2cccnc2)s1)N1CCCOC(c2ccccc2)C1
InChIInChI=1S/C21H20N2O2S/c24-21(20-10-9-19(26-20)17-8-4-11-22-14-17)23-12-5-13-25-18(15-23)16-6-2-1-3-7-16/h1-4,6-11,14,18H,5,12-13,15H2
InChIKeyUOSWXVVYSZIWPA-UHFFFAOYSA-N
XLogP4.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The IUPAC name of (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone (CID 154840190) is (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone.
What is the SMILES notation for (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The canonical SMILES for (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone is O=C(c1ccc(-c2cccnc2)s1)N1CCCOC(c2ccccc2)C1.
What is the InChIKey of (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
The InChIKey is UOSWXVVYSZIWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-21(20-10-9-19(26-20)17-8-4-11-22-14-17)23-12-5-13-25-18(15-23)16-6-2-1-3-7-16/h1-4,6-11,14,18H,5,12-13,15H2.
What are the key properties of (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone?
(2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,4-oxazepan-4-yl)-(5-pyridin-3-ylthiophen-2-yl)methanone is sourced from PubChem (CID 154840190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).