4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

C18H13N3O2 — CID 51132894

IUPAC4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccn2)n1Cc1cccc2ccccc12
InChIInChI=1S/C18H13N3O2/c22-18-21(17(20-23-18)16-10-3-4-11-19-16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
InChIKeyUEAHIQTZMVHTPN-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.10
Rot. Bonds3

About 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 51132894) has the molecular formula C18H13N3O2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID51132894
Molecular FormulaC18H13N3O2
Molecular Weight303.32 g/mol
Exact Mass303.10
IUPAC Name4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccn2)n1Cc1cccc2ccccc12
InChIInChI=1S/C18H13N3O2/c22-18-21(17(20-23-18)16-10-3-4-11-19-16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
InChIKeyUEAHIQTZMVHTPN-UHFFFAOYSA-N
XLogP3.10
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (CID 51132894) is 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccn2)n1Cc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is UEAHIQTZMVHTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2/c22-18-21(17(20-23-18)16-10-3-4-11-19-16)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2.
What are the key properties of 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 303.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylmethyl)-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 51132894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).