2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol

C16H11N3O2 — CID 135894697

IUPAC2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3nc(-c4ccccc4)no3)cc2c1
InChIInChI=1S/C16H11N3O2/c20-12-6-7-13-11(8-12)9-14(17-13)16-18-15(19-21-16)10-4-2-1-3-5-10/h1-9,17,20H
InChIKeyVDWUPJVTJUYPFJ-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.59
Rot. Bonds2

About 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol

2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol (PubChem CID 135894697) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol.

Molecular Properties

Compound Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol
PubChem CID135894697
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol
SMILESOc1ccc2[nH]c(-c3nc(-c4ccccc4)no3)cc2c1
InChIInChI=1S/C16H11N3O2/c20-12-6-7-13-11(8-12)9-14(17-13)16-18-15(19-21-16)10-4-2-1-3-5-10/h1-9,17,20H
InChIKeyVDWUPJVTJUYPFJ-UHFFFAOYSA-N
XLogP3.59
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(9H-carbazol-3-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137028422
2-[3-[4-[3-[[(Z)-1-(1-methylcyclopropyl)but-1-enyl]amino]anilino]sulfanylphenyl]-1,2,4-oxadiazol-5-yl]-1H-indol-5-ol
CID 142181035
2-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809760
2-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-indol-2-yl]phenol
CID 129122103
5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-3-carbonitrile
CID 137015001
4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
7-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)chromen-2-one
CID 135686641
2-(2-chlorophenyl)-1H-indol-5-ol
CID 84704114
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
pyrimidine;2-pyrimidin-5-yl-1H-indol-5-ol
CID 158787086
N-[4-[5-(5-chloro-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 135964979
5-(3-naphthalen-2-yl-1H-pyrazol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 20941125

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol?
The IUPAC name of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol (CID 135894697) is 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol.
What is the SMILES notation for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol?
The canonical SMILES for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol is Oc1ccc2[nH]c(-c3nc(-c4ccccc4)no3)cc2c1.
What is the InChIKey of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol?
The InChIKey is VDWUPJVTJUYPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-12-6-7-13-11(8-12)9-14(17-13)16-18-15(19-21-16)10-4-2-1-3-5-10/h1-9,17,20H.
What are the key properties of 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol?
2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol has a molecular weight of 277.28 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-ol is sourced from PubChem (CID 135894697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).