6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one

C20H19N5O3 — CID 123468061

IUPAC6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CC(CCC2c2nnc(-c3ccncc3)o2)N1OCc1ccccc1
InChIInChI=1S/C20H19N5O3/c26-20-24-12-16(25(20)27-13-14-4-2-1-3-5-14)6-7-17(24)19-23-22-18(28-19)15-8-10-21-11-9-15/h1-5,8-11,16-17H,6-7,12-13H2
InChIKeyXHZRYYFVRNKBIM-UHFFFAOYSA-N
MW377.40 g/mol
LogP3.20
Rot. Bonds5

About 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one

6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one (PubChem CID 123468061) has the molecular formula C20H19N5O3 and a molecular weight of 377.40 g/mol. Its IUPAC name is 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
PubChem CID123468061
Molecular FormulaC20H19N5O3
Molecular Weight377.40 g/mol
Exact Mass377.15
IUPAC Name6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
SMILESO=C1N2CC(CCC2c2nnc(-c3ccncc3)o2)N1OCc1ccccc1
InChIInChI=1S/C20H19N5O3/c26-20-24-12-16(25(20)27-13-14-4-2-1-3-5-14)6-7-17(24)19-23-22-18(28-19)15-8-10-21-11-9-15/h1-5,8-11,16-17H,6-7,12-13H2
InChIKeyXHZRYYFVRNKBIM-UHFFFAOYSA-N
XLogP3.20
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The IUPAC name of 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one (CID 123468061) is 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The canonical SMILES for 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one is O=C1N2CC(CCC2c2nnc(-c3ccncc3)o2)N1OCc1ccccc1.
What is the InChIKey of 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
The InChIKey is XHZRYYFVRNKBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3/c26-20-24-12-16(25(20)27-13-14-4-2-1-3-5-14)6-7-17(24)19-23-22-18(28-19)15-8-10-21-11-9-15/h1-5,8-11,16-17H,6-7,12-13H2.
What are the key properties of 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one?
6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one has a molecular weight of 377.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-2-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 123468061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).