3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one

C18H13N3O3 — CID 155816223

IUPAC3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnc(COc2ccccc2)o1
InChIInChI=1S/C18H13N3O3/c22-17-14(10-12-6-4-5-9-15(12)19-17)18-21-20-16(24-18)11-23-13-7-2-1-3-8-13/h1-10H,11H2,(H,19,22)
InChIKeyJPEJZGRHSQKILT-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.16
Rot. Bonds4

About 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one

3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one (PubChem CID 155816223) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
PubChem CID155816223
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1-c1nnc(COc2ccccc2)o1
InChIInChI=1S/C18H13N3O3/c22-17-14(10-12-6-4-5-9-15(12)19-17)18-21-20-16(24-18)11-23-13-7-2-1-3-8-13/h1-10H,11H2,(H,19,22)
InChIKeyJPEJZGRHSQKILT-UHFFFAOYSA-N
XLogP3.16
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one (CID 155816223) is 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1-c1nnc(COc2ccccc2)o1.
What is the InChIKey of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
The InChIKey is JPEJZGRHSQKILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-17-14(10-12-6-4-5-9-15(12)19-17)18-21-20-16(24-18)11-23-13-7-2-1-3-8-13/h1-10H,11H2,(H,19,22).
What are the key properties of 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one?
3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one has a molecular weight of 319.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 155816223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).