3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile

C18H10N2O2 — CID 137169487

IUPAC3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(-c2nc3cc4ccccc4cc3o2)c1
InChIInChI=1S/C18H10N2O2/c19-10-11-5-6-16(21)14(7-11)18-20-15-8-12-3-1-2-4-13(12)9-17(15)22-18/h1-9,21H
InChIKeyHLKOVMBUOQVPBA-UHFFFAOYSA-N
MW286.29 g/mol
LogP4.23
Rot. Bonds1

About 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile

3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile (PubChem CID 137169487) has the molecular formula C18H10N2O2 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile.

Molecular Properties

Compound Name3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile
PubChem CID137169487
Molecular FormulaC18H10N2O2
Molecular Weight286.29 g/mol
Exact Mass286.07
IUPAC Name3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile
SMILESN#Cc1ccc(O)c(-c2nc3cc4ccccc4cc3o2)c1
InChIInChI=1S/C18H10N2O2/c19-10-11-5-6-16(21)14(7-11)18-20-15-8-12-3-1-2-4-13(12)9-17(15)22-18/h1-9,21H
InChIKeyHLKOVMBUOQVPBA-UHFFFAOYSA-N
XLogP4.23
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

2-naphtho[2,3-f][1,3]benzoxazol-2-ylphenol
CID 137169500
4-(1,3-benzoxazol-2-yl)-3-hydroxybenzonitrile
CID 165357068
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-benzo[f][1,3]benzoxazol-2-yl-4-(2-dimethoxyphosphorylethyl)phenol
CID 137091436
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]formamide
CID 136600254
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2,5-bis(5-bromo-1,3-benzoxazol-2-yl)benzene-1,4-diol
CID 142681394
N-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,2,2-trichloroacetamide
CID 1363966
4-amino-2-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 653891

Frequently Asked Questions

What is the IUPAC name of 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile?
The IUPAC name of 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile (CID 137169487) is 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile.
What is the SMILES notation for 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile?
The canonical SMILES for 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile is N#Cc1ccc(O)c(-c2nc3cc4ccccc4cc3o2)c1.
What is the InChIKey of 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile?
The InChIKey is HLKOVMBUOQVPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O2/c19-10-11-5-6-16(21)14(7-11)18-20-15-8-12-3-1-2-4-13(12)9-17(15)22-18/h1-9,21H.
What are the key properties of 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile?
3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile has a molecular weight of 286.29 g/mol, XLogP of 4.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzo[f][1,3]benzoxazol-2-yl-4-hydroxybenzonitrile is sourced from PubChem (CID 137169487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).