2-pyridin-4-yl-1,3-benzoxazole

C12H8N2O — CID 16804

IUPAC2-pyridin-4-yl-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C12H8N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H
InChIKeyNSTYHODPDRPTRO-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.89
Rot. Bonds1

About 2-pyridin-4-yl-1,3-benzoxazole

2-pyridin-4-yl-1,3-benzoxazole (PubChem CID 16804) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-pyridin-4-yl-1,3-benzoxazole.

Molecular Properties

Compound Name2-pyridin-4-yl-1,3-benzoxazole
PubChem CID16804
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-pyridin-4-yl-1,3-benzoxazole
SMILESc1ccc2oc(-c3ccncc3)nc2c1
InChIInChI=1S/C12H8N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H
InChIKeyNSTYHODPDRPTRO-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
CID 9228
2-Methylbenzoxazole
CID 7225
Benzoxazole, 2-(phenylmethyl)-
CID 16179
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
L 696040
CID 131887
Benzoxazole, 2,2'-(1,2-ethenediyl)bis(5-methyl-
CID 5332173
2,5-Dimethylbenzoxazole
CID 21884
2-(3-Pyridyl)benzoxazole
CID 16803
2-(2'-Methylphenyl)benzoxazole
CID 154899
3-(5-Methyl-1,3-benzoxazol-2-YL)phenylamine
CID 348698
3,3'-Diethyloxacarbocyanine iodide
CID 6538326

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-1,3-benzoxazole?
The IUPAC name of 2-pyridin-4-yl-1,3-benzoxazole (CID 16804) is 2-pyridin-4-yl-1,3-benzoxazole.
What is the SMILES notation for 2-pyridin-4-yl-1,3-benzoxazole?
The canonical SMILES for 2-pyridin-4-yl-1,3-benzoxazole is c1ccc2oc(-c3ccncc3)nc2c1.
What is the InChIKey of 2-pyridin-4-yl-1,3-benzoxazole?
The InChIKey is NSTYHODPDRPTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H.
What are the key properties of 2-pyridin-4-yl-1,3-benzoxazole?
2-pyridin-4-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-4-yl-1,3-benzoxazole is sourced from PubChem (CID 16804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).