2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole

C13H9ClN2O — CID 1472067

IUPAC2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cccnc3Cl)nc2c1
InChIInChI=1S/C13H9ClN2O/c1-8-4-5-11-10(7-8)16-13(17-11)9-3-2-6-15-12(9)14/h2-7H,1H3
InChIKeyHOQVQZIUEKSPAH-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.85
Rot. Bonds1

About 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole

2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole (PubChem CID 1472067) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
PubChem CID1472067
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole
SMILESCc1ccc2oc(-c3cccnc3Cl)nc2c1
InChIInChI=1S/C13H9ClN2O/c1-8-4-5-11-10(7-8)16-13(17-11)9-3-2-6-15-12(9)14/h2-7H,1H3
InChIKeyHOQVQZIUEKSPAH-UHFFFAOYSA-N
XLogP3.85
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-pyridin-2-yl-1,3-benzoxazole
CID 12031006
5-methyl-2-(2-methylphenyl)-1,3-benzoxazole
CID 839364
5-methyl-2-(1,10-phenanthrolin-2-yl)-1,3-benzoxazole
CID 102035737
2-chloro-6-(5-methyl-1,3-benzoxazol-2-yl)aniline
CID 107051373
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
2-(2,3-dimethylphenyl)-5-methyl-1,3-benzoxazole
CID 46089234
2-(5-bromo-2-chlorophenyl)-5-methyl-1,3-benzoxazole
CID 17307933
5-methyl-2-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 11588133
5-methyl-2-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 950413
5-(2-chloro-3-pyridinyl)-3-(2,5-dimethylphenyl)-1,2,4-oxadiazole
CID 97057852
N-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)pyridin-1-ium-2-amine
CID 6986516
5-methyl-2-[2-(2-phenylethenyl)phenyl]-1,3-benzoxazole
CID 67188632

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole (CID 1472067) is 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole is Cc1ccc2oc(-c3cccnc3Cl)nc2c1.
What is the InChIKey of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole?
The InChIKey is HOQVQZIUEKSPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-8-4-5-11-10(7-8)16-13(17-11)9-3-2-6-15-12(9)14/h2-7H,1H3.
What are the key properties of 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole?
2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole has a molecular weight of 244.68 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-pyridinyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 1472067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).