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

C15H12N2O3 — CID 107922223

IUPAC2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(-c2noc(Cc3ccccc3O)n2)c1
InChIInChI=1S/C15H12N2O3/c18-12-6-3-5-11(8-12)15-16-14(20-17-15)9-10-4-1-2-7-13(10)19/h1-8,18-19H,9H2
InChIKeyIXPWVHMIYNNGCP-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.74
Rot. Bonds3

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

2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 107922223) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID107922223
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESOc1cccc(-c2noc(Cc3ccccc3O)n2)c1
InChIInChI=1S/C15H12N2O3/c18-12-6-3-5-11(8-12)15-16-14(20-17-15)9-10-4-1-2-7-13(10)19/h1-8,18-19H,9H2
InChIKeyIXPWVHMIYNNGCP-UHFFFAOYSA-N
XLogP2.74
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62505666
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480
3-[5-[2-(4-methylphenyl)ethyl]-1,2,4-oxadiazol-3-yl]phenol
CID 62503643
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
3-[5-[(4-hydroxyanilino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921255
3-[5-(2-aminoethoxymethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103822428
3-[5-(azetidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 113310677
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
3-[5-(3-amino-2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenol
CID 107921209
3-[5-[(prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 114016052
3-[5-(methylamino)-1,2,4-oxadiazol-3-yl]phenol
CID 107921953
3-[5-[[4-(aminomethyl)triazol-1-yl]methyl]-1,2,4-oxadiazol-3-yl]phenol
CID 107921120

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 107922223) is 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is Oc1cccc(-c2noc(Cc3ccccc3O)n2)c1.
What is the InChIKey of 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is IXPWVHMIYNNGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-12-6-3-5-11(8-12)15-16-14(20-17-15)9-10-4-1-2-7-13(10)19/h1-8,18-19H,9H2.
What are the key properties of 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 268.27 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 107922223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).