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

C14H12N2O4 — CID 136914626

IUPAC5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3occc3C)no2)c(O)c1
InChIInChI=1S/C14H12N2O4/c1-8-5-6-19-12(8)13-15-14(20-16-13)10-4-3-9(18-2)7-11(10)17/h3-7,17H,1-2H3
InChIKeyRMHABRCZWRESDJ-UHFFFAOYSA-N
MW272.26 g/mol
LogP3.02
Rot. Bonds3

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

5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136914626) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136914626
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCOc1ccc(-c2nc(-c3occc3C)no2)c(O)c1
InChIInChI=1S/C14H12N2O4/c1-8-5-6-19-12(8)13-15-14(20-16-13)10-4-3-9(18-2)7-11(10)17/h3-7,17H,1-2H3
InChIKeyRMHABRCZWRESDJ-UHFFFAOYSA-N
XLogP3.02
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914623
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813540
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904254
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
ethyl 3-(3-methylfuran-2-yl)-1,2,4-oxadiazole-5-carboxylate
CID 104798232
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904028
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751072
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527886

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136914626) is 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol is COc1ccc(-c2nc(-c3occc3C)no2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is RMHABRCZWRESDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-8-5-6-19-12(8)13-15-14(20-16-13)10-4-3-9(18-2)7-11(10)17/h3-7,17H,1-2H3.
What are the key properties of 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 272.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136914626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).