2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole

C20H23N3O — CID 58418094

IUPAC2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole
SMILESCc1cc(-c2ncc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)n1
InChIInChI=1S/C20H23N3O/c1-12(2)6-18-10-16(7-15(5)23-18)19-11-21-20(24-19)17-8-13(3)22-14(4)9-17/h7-12H,6H2,1-5H3
InChIKeyBQFVTNJFKVCSKE-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.92
Rot. Bonds4

About 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole

2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole (PubChem CID 58418094) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole
PubChem CID58418094
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole
SMILESCc1cc(-c2ncc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)n1
InChIInChI=1S/C20H23N3O/c1-12(2)6-18-10-16(7-15(5)23-18)19-11-21-20(24-19)17-8-13(3)22-14(4)9-17/h7-12H,6H2,1-5H3
InChIKeyBQFVTNJFKVCSKE-UHFFFAOYSA-N
XLogP4.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole (CID 58418094) is 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole is Cc1cc(-c2ncc(-c3cc(C)nc(CC(C)C)c3)o2)cc(C)n1.
What is the InChIKey of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole?
The InChIKey is BQFVTNJFKVCSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-12(2)6-18-10-16(7-15(5)23-18)19-11-21-20(24-19)17-8-13(3)22-14(4)9-17/h7-12H,6H2,1-5H3.
What are the key properties of 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole?
2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole has a molecular weight of 321.42 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyl-4-pyridinyl)-5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 58418094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).