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

C13H8ClFN2O — CID 58148160

IUPAC2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccncc3Cl)oc2cc1F
InChIInChI=1S/C13H8ClFN2O/c1-7-4-11-12(5-10(7)15)18-13(17-11)8-2-3-16-6-9(8)14/h2-6H,1H3
InChIKeyDYLNVHYGDAPMDJ-UHFFFAOYSA-N
MW262.67 g/mol
LogP3.99
Rot. Bonds1

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

2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole (PubChem CID 58148160) has the molecular formula C13H8ClFN2O and a molecular weight of 262.67 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole
PubChem CID58148160
Molecular FormulaC13H8ClFN2O
Molecular Weight262.67 g/mol
Exact Mass262.03
IUPAC Name2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole
SMILESCc1cc2nc(-c3ccncc3Cl)oc2cc1F
InChIInChI=1S/C13H8ClFN2O/c1-7-4-11-12(5-10(7)15)18-13(17-11)8-2-3-16-6-9(8)14/h2-6H,1H3
InChIKeyDYLNVHYGDAPMDJ-UHFFFAOYSA-N
XLogP3.99
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole (CID 58148160) is 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole is Cc1cc2nc(-c3ccncc3Cl)oc2cc1F.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole?
The InChIKey is DYLNVHYGDAPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O/c1-7-4-11-12(5-10(7)15)18-13(17-11)8-2-3-16-6-9(8)14/h2-6H,1H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole?
2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole has a molecular weight of 262.67 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-6-fluoro-5-methyl-1,3-benzoxazole is sourced from PubChem (CID 58148160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).