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

C13H10N2O3 — CID 104791040

IUPAC3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1occc1-c1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C13H10N2O3/c1-8-11(5-6-17-8)12-14-13(18-15-12)9-3-2-4-10(16)7-9/h2-7,16H,1H3
InChIKeyCNRYARGDPZIFBI-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.01
Rot. Bonds2

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

3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 104791040) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID104791040
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1occc1-c1noc(-c2cccc(O)c2)n1
InChIInChI=1S/C13H10N2O3/c1-8-11(5-6-17-8)12-14-13(18-15-12)9-3-2-4-10(16)7-9/h2-7,16H,1H3
InChIKeyCNRYARGDPZIFBI-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 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 104791040) is 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1occc1-c1noc(-c2cccc(O)c2)n1.
What is the InChIKey of 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is CNRYARGDPZIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-8-11(5-6-17-8)12-14-13(18-15-12)9-3-2-4-10(16)7-9/h2-7,16H,1H3.
What are the key properties of 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-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 3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 104791040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).