4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol

C13H10N2O3 — CID 136751072

IUPAC4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C13H10N2O3/c1-8-7-9(16)4-5-10(8)13-14-12(15-18-13)11-3-2-6-17-11/h2-7,16H,1H3
InChIKeyHSYUCTQJNGCYNX-UHFFFAOYSA-N
MW242.23 g/mol
LogP3.01
Rot. Bonds2

About 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol (PubChem CID 136751072) has the molecular formula C13H10N2O3 and a molecular weight of 242.23 g/mol. Its IUPAC name is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol.

Molecular Properties

Compound Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
PubChem CID136751072
Molecular FormulaC13H10N2O3
Molecular Weight242.23 g/mol
Exact Mass242.07
IUPAC Name4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
SMILESCc1cc(O)ccc1-c1nc(-c2ccco2)no1
InChIInChI=1S/C13H10N2O3/c1-8-7-9(16)4-5-10(8)13-14-12(15-18-13)11-3-2-6-17-11/h2-7,16H,1H3
InChIKeyHSYUCTQJNGCYNX-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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Related Compounds

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylaniline
CID 62716630
3-methyl-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 172890266
2-amino-6-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712714
3-(furan-2-yl)-4-methylphenol
CID 131162785
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904254
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30333041
5-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyphenol
CID 79733049
5-[2-(furan-2-yl)phenyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 168526202
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751161
3-methyl-4-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927411
3-methyl-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751103
5-methoxy-2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136914626

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The IUPAC name of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol (CID 136751072) is 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol.
What is the SMILES notation for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The canonical SMILES for 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol is Cc1cc(O)ccc1-c1nc(-c2ccco2)no1.
What is the InChIKey of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
The InChIKey is HSYUCTQJNGCYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3/c1-8-7-9(16)4-5-10(8)13-14-12(15-18-13)11-3-2-6-17-11/h2-7,16H,1H3.
What are the key properties of 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol?
4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol 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 4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylphenol is sourced from PubChem (CID 136751072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).