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

C13H10N2O3 — CID 136934872

IUPAC2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1occc1-c1nnc(-c2ccccc2O)o1
InChIInChI=1S/C13H10N2O3/c1-8-9(6-7-17-8)12-14-15-13(18-12)10-4-2-3-5-11(10)16/h2-7,16H,1H3
InChIKeyTZRVYIUVKYPLOP-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.01
Rot. Bonds2

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

2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol (PubChem CID 136934872) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol
PubChem CID136934872
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol
SMILESCc1occc1-c1nnc(-c2ccccc2O)o1
InChIInChI=1S/C13H10N2O3/c1-8-9(6-7-17-8)12-14-15-13(18-12)10-4-2-3-5-11(10)16/h2-7,16H,1H3
InChIKeyTZRVYIUVKYPLOP-UHFFFAOYSA-N
XLogP3.01
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol (CID 136934872) is 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol is Cc1occc1-c1nnc(-c2ccccc2O)o1.
What is the InChIKey of 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol?
The InChIKey is TZRVYIUVKYPLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-8-9(6-7-17-8)12-14-15-13(18-12)10-4-2-3-5-11(10)16/h2-7,16H,1H3.
What are the key properties of 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol?
2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol has a molecular weight of 242.23 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]phenol is sourced from PubChem (CID 136934872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).