4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol

C16H11N3O2 — CID 162663701

IUPAC4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1
InChIInChI=1S/C16H11N3O2/c20-13-4-1-10(2-5-13)16-18-15(19-21-16)12-3-6-14-11(9-12)7-8-17-14/h1-9,17,20H
InChIKeyXBFDKNLQZFJEBH-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.59
Rot. Bonds2

About 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 162663701) has the molecular formula C16H11N3O2 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID162663701
Molecular FormulaC16H11N3O2
Molecular Weight277.28 g/mol
Exact Mass277.09
IUPAC Name4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1
InChIInChI=1S/C16H11N3O2/c20-13-4-1-10(2-5-13)16-18-15(19-21-16)12-3-6-14-11(9-12)7-8-17-14/h1-9,17,20H
InChIKeyXBFDKNLQZFJEBH-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 162663701) is 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1.
What is the InChIKey of 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is XBFDKNLQZFJEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O2/c20-13-4-1-10(2-5-13)16-18-15(19-21-16)12-3-6-14-11(9-12)7-8-17-14/h1-9,17,20H.
What are the key properties of 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol 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 4-[3-(1H-indol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 162663701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).