2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole

C15H13N3O — CID 71005817

IUPAC2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole
SMILESCc1cccc(Cc2cccc(-c3ncco3)n2)n1
InChIInChI=1S/C15H13N3O/c1-11-4-2-5-12(17-11)10-13-6-3-7-14(18-13)15-16-8-9-19-15/h2-9H,10H2,1H3
InChIKeyVDHXZUZGFYUTJO-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.03
Rot. Bonds3

About 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole

2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole (PubChem CID 71005817) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole
PubChem CID71005817
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole
SMILESCc1cccc(Cc2cccc(-c3ncco3)n2)n1
InChIInChI=1S/C15H13N3O/c1-11-4-2-5-12(17-11)10-13-6-3-7-14(18-13)15-16-8-9-19-15/h2-9H,10H2,1H3
InChIKeyVDHXZUZGFYUTJO-UHFFFAOYSA-N
XLogP3.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole (CID 71005817) is 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole is Cc1cccc(Cc2cccc(-c3ncco3)n2)n1.
What is the InChIKey of 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole?
The InChIKey is VDHXZUZGFYUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-11-4-2-5-12(17-11)10-13-6-3-7-14(18-13)15-16-8-9-19-15/h2-9H,10H2,1H3.
What are the key properties of 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole?
2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole has a molecular weight of 251.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 71005817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).