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

C23H17N3O2 — CID 127027703

IUPAC4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol
SMILESOc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)cc1
InChIInChI=1S/C23H17N3O2/c27-19-10-8-15(9-11-19)16-4-3-5-17(12-16)23-25-22(28-26-23)13-18-14-24-21-7-2-1-6-20(18)21/h1-12,14,24,27H,13H2
InChIKeyJCGGXQINPNNNIK-UHFFFAOYSA-N
MW367.41 g/mol
LogP5.18
Rot. Bonds4

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

4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol (PubChem CID 127027703) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol.

Molecular Properties

Compound Name4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol
PubChem CID127027703
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol
SMILESOc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)cc1
InChIInChI=1S/C23H17N3O2/c27-19-10-8-15(9-11-19)16-4-3-5-17(12-16)23-25-22(28-26-23)13-18-14-24-21-7-2-1-6-20(18)21/h1-12,14,24,27H,13H2
InChIKeyJCGGXQINPNNNIK-UHFFFAOYSA-N
XLogP5.18
TPSA74.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.41
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol?
The IUPAC name of 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol (CID 127027703) is 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol.
What is the SMILES notation for 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol?
The canonical SMILES for 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol is Oc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)c2)cc1.
What is the InChIKey of 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol?
The InChIKey is JCGGXQINPNNNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-19-10-8-15(9-11-19)16-4-3-5-17(12-16)23-25-22(28-26-23)13-18-14-24-21-7-2-1-6-20(18)21/h1-12,14,24,27H,13H2.
What are the key properties of 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol?
4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol has a molecular weight of 367.41 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[5-(1H-indol-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]phenol is sourced from PubChem (CID 127027703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).