6-pyridin-3-yl-3H-1,3-benzoxazol-2-one

C12H8N2O2 — CID 58255623

IUPAC6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cccnc3)cc2o1
InChIInChI=1S/C12H8N2O2/c15-12-14-10-4-3-8(6-11(10)16-12)9-2-1-5-13-7-9/h1-7H,(H,14,15)
InChIKeyOBEWNLOOSJLZIO-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.18
Rot. Bonds1

About 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one

6-pyridin-3-yl-3H-1,3-benzoxazol-2-one (PubChem CID 58255623) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
PubChem CID58255623
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name6-pyridin-3-yl-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2ccc(-c3cccnc3)cc2o1
InChIInChI=1S/C12H8N2O2/c15-12-14-10-4-3-8(6-11(10)16-12)9-2-1-5-13-7-9/h1-7H,(H,14,15)
InChIKeyOBEWNLOOSJLZIO-UHFFFAOYSA-N
XLogP2.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one 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 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one (CID 58255623) is 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one is O=c1[nH]c2ccc(-c3cccnc3)cc2o1.
What is the InChIKey of 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one?
The InChIKey is OBEWNLOOSJLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12-14-10-4-3-8(6-11(10)16-12)9-2-1-5-13-7-9/h1-7H,(H,14,15).
What are the key properties of 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one?
6-pyridin-3-yl-3H-1,3-benzoxazol-2-one has a molecular weight of 212.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 58255623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).