3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one

C17H10N2O4 — CID 135842838

IUPAC3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one
SMILESO=C1C(c2noc(-c3ccccc3O)n2)=C(O)c2ccccc21
InChIInChI=1S/C17H10N2O4/c20-12-8-4-3-7-11(12)17-18-16(19-23-17)13-14(21)9-5-1-2-6-10(9)15(13)22/h1-8,20-21H
InChIKeyLPHOPWKNTUORDY-UHFFFAOYSA-N
MW306.28 g/mol
LogP3.06
Rot. Bonds2

About 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one

3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one (PubChem CID 135842838) has the molecular formula C17H10N2O4 and a molecular weight of 306.28 g/mol. Its IUPAC name is 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one
PubChem CID135842838
Molecular FormulaC17H10N2O4
Molecular Weight306.28 g/mol
Exact Mass306.06
IUPAC Name3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one
SMILESO=C1C(c2noc(-c3ccccc3O)n2)=C(O)c2ccccc21
InChIInChI=1S/C17H10N2O4/c20-12-8-4-3-7-11(12)17-18-16(19-23-17)13-14(21)9-5-1-2-6-10(9)15(13)22/h1-8,20-21H
InChIKeyLPHOPWKNTUORDY-UHFFFAOYSA-N
XLogP3.06
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Related Compounds

2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
2-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 870621
3-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136928412
[2-[3-(2-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 164843766
2-(1-hydroxy-3-oxoinden-2-yl)benzoic acid
CID 138601815
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136964522
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-hydroxyinden-1-one
CID 135867848

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one?
The IUPAC name of 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one (CID 135842838) is 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one.
What is the SMILES notation for 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one?
The canonical SMILES for 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one is O=C1C(c2noc(-c3ccccc3O)n2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one?
The InChIKey is LPHOPWKNTUORDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O4/c20-12-8-4-3-7-11(12)17-18-16(19-23-17)13-14(21)9-5-1-2-6-10(9)15(13)22/h1-8,20-21H.
What are the key properties of 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one?
3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one has a molecular weight of 306.28 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]inden-1-one is sourced from PubChem (CID 135842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).