6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole

C15H13ClN2O — CID 58148222

IUPAC6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
SMILESCCc1cnccc1-c1nc2cc(C)c(Cl)cc2o1
InChIInChI=1S/C15H13ClN2O/c1-3-10-8-17-5-4-11(10)15-18-13-6-9(2)12(16)7-14(13)19-15/h4-8H,3H2,1-2H3
InChIKeyIGUGEAOJVJZALP-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.41
Rot. Bonds2

About 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole

6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole (PubChem CID 58148222) has the molecular formula C15H13ClN2O and a molecular weight of 272.74 g/mol. Its IUPAC name is 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
PubChem CID58148222
Molecular FormulaC15H13ClN2O
Molecular Weight272.74 g/mol
Exact Mass272.07
IUPAC Name6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
SMILESCCc1cnccc1-c1nc2cc(C)c(Cl)cc2o1
InChIInChI=1S/C15H13ClN2O/c1-3-10-8-17-5-4-11(10)15-18-13-6-9(2)12(16)7-14(13)19-15/h4-8H,3H2,1-2H3
InChIKeyIGUGEAOJVJZALP-UHFFFAOYSA-N
XLogP4.41
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole (CID 58148222) is 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole is CCc1cnccc1-c1nc2cc(C)c(Cl)cc2o1.
What is the InChIKey of 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole?
The InChIKey is IGUGEAOJVJZALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O/c1-3-10-8-17-5-4-11(10)15-18-13-6-9(2)12(16)7-14(13)19-15/h4-8H,3H2,1-2H3.
What are the key properties of 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole?
6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole has a molecular weight of 272.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 58148222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).