4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

C15H13N3O3 — CID 110005318

IUPAC4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccn2)n1Cc1ccc(CO)cc1
InChIInChI=1S/C15H13N3O3/c19-10-12-6-4-11(5-7-12)9-18-14(17-21-15(18)20)13-3-1-2-8-16-13/h1-8,19H,9-10H2
InChIKeyFTFPIURSYAVMHO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.44
Rot. Bonds4

About 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one

4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (PubChem CID 110005318) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
PubChem CID110005318
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccn2)n1Cc1ccc(CO)cc1
InChIInChI=1S/C15H13N3O3/c19-10-12-6-4-11(5-7-12)9-18-14(17-21-15(18)20)13-3-1-2-8-16-13/h1-8,19H,9-10H2
InChIKeyFTFPIURSYAVMHO-UHFFFAOYSA-N
XLogP1.44
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one (CID 110005318) is 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccn2)n1Cc1ccc(CO)cc1.
What is the InChIKey of 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
The InChIKey is FTFPIURSYAVMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-10-12-6-4-11(5-7-12)9-18-14(17-21-15(18)20)13-3-1-2-8-16-13/h1-8,19H,9-10H2.
What are the key properties of 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one?
4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one has a molecular weight of 283.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)phenyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 110005318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).