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

C23H17N3O2 — CID 137028411

IUPAC4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4c(ccn4Cc4ccccc4)c3)no2)cc1
InChIInChI=1S/C23H17N3O2/c27-20-9-6-17(7-10-20)23-24-22(25-28-23)19-8-11-21-18(14-19)12-13-26(21)15-16-4-2-1-3-5-16/h1-14,27H,15H2
InChIKeyBIHOHGTXTDYPHX-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.11
Rot. Bonds4

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

4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137028411) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137028411
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4c(ccn4Cc4ccccc4)c3)no2)cc1
InChIInChI=1S/C23H17N3O2/c27-20-9-6-17(7-10-20)23-24-22(25-28-23)19-8-11-21-18(14-19)12-13-26(21)15-16-4-2-1-3-5-16/h1-14,27H,15H2
InChIKeyBIHOHGTXTDYPHX-UHFFFAOYSA-N
XLogP5.11
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137028411) is 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc4c(ccn4Cc4ccccc4)c3)no2)cc1.
What is the InChIKey of 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is BIHOHGTXTDYPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-20-9-6-17(7-10-20)23-24-22(25-28-23)19-8-11-21-18(14-19)12-13-26(21)15-16-4-2-1-3-5-16/h1-14,27H,15H2.
What are the key properties of 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 367.41 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-benzylindol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137028411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).