4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol

C14H11N3O2 — CID 135998745

IUPAC4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(-c2nnc(Nc3ccccc3)o2)cc1
InChIInChI=1S/C14H11N3O2/c18-12-8-6-10(7-9-12)13-16-17-14(19-13)15-11-4-2-1-3-5-11/h1-9,18H,(H,15,17)
InChIKeyFDSFDFLAZCAWSS-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.19
Rot. Bonds3

About 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol

4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol (PubChem CID 135998745) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

Compound Name4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol
PubChem CID135998745
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol
SMILESOc1ccc(-c2nnc(Nc3ccccc3)o2)cc1
InChIInChI=1S/C14H11N3O2/c18-12-8-6-10(7-9-12)13-16-17-14(19-13)15-11-4-2-1-3-5-11/h1-9,18H,(H,15,17)
InChIKeyFDSFDFLAZCAWSS-UHFFFAOYSA-N
XLogP3.19
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol?
The IUPAC name of 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol (CID 135998745) is 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol.
What is the SMILES notation for 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol?
The canonical SMILES for 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol is Oc1ccc(-c2nnc(Nc3ccccc3)o2)cc1.
What is the InChIKey of 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol?
The InChIKey is FDSFDFLAZCAWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-12-8-6-10(7-9-12)13-16-17-14(19-13)15-11-4-2-1-3-5-11/h1-9,18H,(H,15,17).
What are the key properties of 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol?
4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol has a molecular weight of 253.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-anilino-1,3,4-oxadiazol-2-yl)phenol is sourced from PubChem (CID 135998745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).