3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole

C15H11ClN2O2 — CID 886632

IUPAC3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(COc3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-8-6-11(7-9-12)15-17-14(20-18-15)10-19-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyLRBFWOJCUCINJG-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.97
Rot. Bonds4

About 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole (PubChem CID 886632) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole
PubChem CID886632
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(COc3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClN2O2/c16-12-8-6-11(7-9-12)15-17-14(20-18-15)10-19-13-4-2-1-3-5-13/h1-9H,10H2
InChIKeyLRBFWOJCUCINJG-UHFFFAOYSA-N
XLogP3.97
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole (CID 886632) is 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(COc3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
The InChIKey is LRBFWOJCUCINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-12-8-6-11(7-9-12)15-17-14(20-18-15)10-19-13-4-2-1-3-5-13/h1-9H,10H2.
What are the key properties of 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole has a molecular weight of 286.72 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(phenoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 886632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).