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

C15H13N3O3 — CID 86790507

IUPAC4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccnc2)n1COCc1ccccc1
InChIInChI=1S/C15H13N3O3/c19-15-18(11-20-10-12-5-2-1-3-6-12)14(17-21-15)13-7-4-8-16-9-13/h1-9H,10-11H2
InChIKeyCWFTWHMSTDIREE-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.07
Rot. Bonds5

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

4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one (PubChem CID 86790507) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
PubChem CID86790507
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2cccnc2)n1COCc1ccccc1
InChIInChI=1S/C15H13N3O3/c19-15-18(11-20-10-12-5-2-1-3-6-12)14(17-21-15)13-7-4-8-16-9-13/h1-9H,10-11H2
InChIKeyCWFTWHMSTDIREE-UHFFFAOYSA-N
XLogP2.07
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one (CID 86790507) is 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2cccnc2)n1COCc1ccccc1.
What is the InChIKey of 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
The InChIKey is CWFTWHMSTDIREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15-18(11-20-10-12-5-2-1-3-6-12)14(17-21-15)13-7-4-8-16-9-13/h1-9H,10-11H2.
What are the key properties of 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one?
4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one has a molecular weight of 283.29 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenylmethoxymethyl)-3-pyridin-3-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 86790507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).