5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

C10H8N2O4 — CID 115079120

IUPAC5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)5-8-11-9(10(14)15)12-16-8/h1-4,13H,5H2,(H,14,15)
InChIKeyBBMAVVYZRHOUEE-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.06
Rot. Bonds3

About 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid

5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 115079120) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID115079120
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
SMILESO=C(O)c1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)5-8-11-9(10(14)15)12-16-8/h1-4,13H,5H2,(H,14,15)
InChIKeyBBMAVVYZRHOUEE-UHFFFAOYSA-N
XLogP1.06
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55252728
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63851274
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
4-[[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 116809545
3-[(4-hydroxyphenyl)methyl]-1,4,2-dioxazol-5-one
CID 142619123
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 115079062
5-benzyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 75463986
4-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136889527
4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 55258328
4-[[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63844567
5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112603813

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid (CID 115079120) is 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is O=C(O)c1noc(Cc2ccc(O)cc2)n1.
What is the InChIKey of 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is BBMAVVYZRHOUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c13-7-3-1-6(2-4-7)5-8-11-9(10(14)15)12-16-8/h1-4,13H,5H2,(H,14,15).
What are the key properties of 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid?
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 115079120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).