2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione

C17H11N3O4 — CID 168517903

IUPAC2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione
SMILESCc1nnc(-c2cc(N3C(=O)c4ccccc4C3=O)ccc2O)o1
InChIInChI=1S/C17H11N3O4/c1-9-18-19-15(24-9)13-8-10(6-7-14(13)21)20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8,21H,1H3
InChIKeyXOCOAIDKMSFGFK-UHFFFAOYSA-N
MW321.29 g/mol
LogP2.55
Rot. Bonds2

About 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione

2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione (PubChem CID 168517903) has the molecular formula C17H11N3O4 and a molecular weight of 321.29 g/mol. Its IUPAC name is 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione
PubChem CID168517903
Molecular FormulaC17H11N3O4
Molecular Weight321.29 g/mol
Exact Mass321.07
IUPAC Name2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione
SMILESCc1nnc(-c2cc(N3C(=O)c4ccccc4C3=O)ccc2O)o1
InChIInChI=1S/C17H11N3O4/c1-9-18-19-15(24-9)13-8-10(6-7-14(13)21)20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8,21H,1H3
InChIKeyXOCOAIDKMSFGFK-UHFFFAOYSA-N
XLogP2.55
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butyl-3-hydroxyphenyl)isoindole-1,3-dione
CID 59395003
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[2-(2-methylphenyl)-1,3-benzoxazol-6-yl]isoindole-1,3-dione
CID 168516646
[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]thiourea
CID 169357970
4-bromo-2-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol
CID 155569508
2-[2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoethyl]benzoic acid
CID 135634456
4-(1,3-dioxoisoindol-2-yl)phthalic acid
CID 168515933
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2-(3,5-dimethylpyrazol-1-yl)-5-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 168517900
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)anilino]ethene-1,1,2-tricarbonitrile
CID 168608475
4-(1,3-dioxoisoindol-2-yl)-2-methylbenzenesulfonic acid
CID 168511809

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione (CID 168517903) is 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione is Cc1nnc(-c2cc(N3C(=O)c4ccccc4C3=O)ccc2O)o1.
What is the InChIKey of 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione?
The InChIKey is XOCOAIDKMSFGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O4/c1-9-18-19-15(24-9)13-8-10(6-7-14(13)21)20-16(22)11-4-2-3-5-12(11)17(20)23/h2-8,21H,1H3.
What are the key properties of 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione?
2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione has a molecular weight of 321.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).