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

C14H12N2O3 — CID 136914623

IUPAC4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(O)c(-c2nc(-c3occc3C)no2)c1
InChIInChI=1S/C14H12N2O3/c1-8-3-4-11(17)10(7-8)14-15-13(16-19-14)12-9(2)5-6-18-12/h3-7,17H,1-2H3
InChIKeyVWOACYMVRZKSGS-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.32
Rot. Bonds2

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

4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136914623) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136914623
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1ccc(O)c(-c2nc(-c3occc3C)no2)c1
InChIInChI=1S/C14H12N2O3/c1-8-3-4-11(17)10(7-8)14-15-13(16-19-14)12-9(2)5-6-18-12/h3-7,17H,1-2H3
InChIKeyVWOACYMVRZKSGS-UHFFFAOYSA-N
XLogP3.32
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914626
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104797778
4-bromo-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798109
2,4-dibromo-6-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 104798121
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 104798239
5-(chloromethyl)-3-(3-methylfuran-2-yl)-1,2,4-oxadiazole
CID 104797636
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylphenol
CID 136965333
4-methyl-5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 113454316
5-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 113454313
4-[5-(2-fluoro-5-methylphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 135977037
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136914623) is 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol is Cc1ccc(O)c(-c2nc(-c3occc3C)no2)c1.
What is the InChIKey of 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is VWOACYMVRZKSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-8-3-4-11(17)10(7-8)14-15-13(16-19-14)12-9(2)5-6-18-12/h3-7,17H,1-2H3.
What are the key properties of 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 256.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136914623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).