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

C15H10N4O2 — CID 137091046

IUPAC4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
InChIInChI=1S/C15H10N4O2/c20-11-4-1-9(2-5-11)15-18-14(19-21-15)10-3-6-12-13(7-10)17-8-16-12/h1-8,20H,(H,16,17)
InChIKeyWVEVRHJNDCBNGH-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.99
Rot. Bonds2

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

4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 137091046) has the molecular formula C15H10N4O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID137091046
Molecular FormulaC15H10N4O2
Molecular Weight278.27 g/mol
Exact Mass278.08
IUPAC Name4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1
InChIInChI=1S/C15H10N4O2/c20-11-4-1-9(2-5-11)15-18-14(19-21-15)10-3-6-12-13(7-10)17-8-16-12/h1-8,20H,(H,16,17)
InChIKeyWVEVRHJNDCBNGH-UHFFFAOYSA-N
XLogP2.99
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 137091046) is 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3ccc4nc[nH]c4c3)no2)cc1.
What is the InChIKey of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is WVEVRHJNDCBNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2/c20-11-4-1-9(2-5-11)15-18-14(19-21-15)10-3-6-12-13(7-10)17-8-16-12/h1-8,20H,(H,16,17).
What are the key properties of 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol?
4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 278.27 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 137091046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).