2-pyridin-3-yl-1,3-benzoxazole

C12H8N2O — CID 16803

IUPAC2-pyridin-3-yl-1,3-benzoxazole
SMILESc1cncc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C12H8N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H
InChIKeyGTVLGQYUIJMHMA-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.89
Rot. Bonds1

About 2-pyridin-3-yl-1,3-benzoxazole

2-pyridin-3-yl-1,3-benzoxazole (PubChem CID 16803) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-pyridin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyridin-3-yl-1,3-benzoxazole
PubChem CID16803
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-pyridin-3-yl-1,3-benzoxazole
SMILESc1cncc(-c2nc3ccccc3o2)c1
InChIInChI=1S/C12H8N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H
InChIKeyGTVLGQYUIJMHMA-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
3-(5-(4-Methoxyphenyl)-2-oxazolyl)pyridine
CID 928446
4-[3-(4-Fluorophenyl)furo[3,2-b]pyridin-2-yl]pyridine
CID 10935149
1-(5-(4-Methoxypyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110651
4-fluoro-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 675056
6-(2-methoxyphenyl)-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione
CID 699158
N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)benzamide
CID 921484
3-ethoxy-N-[2-(pyridin-3-yl)-1,3-benzoxazol-5-yl]benzamide
CID 1414353
N-(2-Pyridin-3-yl-benzooxazol-5-yl)-nicotinamide
CID 646942
2-Phenyl-N-(2-pyridin-4-yl-benzooxazol-5-yl)-acetamide
CID 649646
N-(2-phenyl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 650941

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1,3-benzoxazole?
The IUPAC name of 2-pyridin-3-yl-1,3-benzoxazole (CID 16803) is 2-pyridin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 2-pyridin-3-yl-1,3-benzoxazole?
The canonical SMILES for 2-pyridin-3-yl-1,3-benzoxazole is c1cncc(-c2nc3ccccc3o2)c1.
What is the InChIKey of 2-pyridin-3-yl-1,3-benzoxazole?
The InChIKey is GTVLGQYUIJMHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-8H.
What are the key properties of 2-pyridin-3-yl-1,3-benzoxazole?
2-pyridin-3-yl-1,3-benzoxazole has a molecular weight of 196.21 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 16803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).