2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol

C15H12N2O3 — CID 712390

IUPAC2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(COc2ccccc2)o1
InChIInChI=1S/C15H12N2O3/c18-13-9-5-4-8-12(13)15-17-16-14(20-15)10-19-11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyAJEJJQMLMWCPDD-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.02
Rot. Bonds4

About 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol

2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 712390) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID712390
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol
SMILESOc1ccccc1-c1nnc(COc2ccccc2)o1
InChIInChI=1S/C15H12N2O3/c18-13-9-5-4-8-12(13)15-17-16-14(20-15)10-19-11-6-2-1-3-7-11/h1-9,18H,10H2
InChIKeyAJEJJQMLMWCPDD-UHFFFAOYSA-N
XLogP3.02
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol (CID 712390) is 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol is Oc1ccccc1-c1nnc(COc2ccccc2)o1.
What is the InChIKey of 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is AJEJJQMLMWCPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-13-9-5-4-8-12(13)15-17-16-14(20-15)10-19-11-6-2-1-3-7-11/h1-9,18H,10H2.
What are the key properties of 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol?
2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 268.27 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 712390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).