2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole

C16H14N2O — CID 90367981

IUPAC2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
SMILESCc1ccc(-c2ccc(-c3ncco3)cc2)c(C)n1
InChIInChI=1S/C16H14N2O/c1-11-3-8-15(12(2)18-11)13-4-6-14(7-5-13)16-17-9-10-19-16/h3-10H,1-2H3
InChIKeyYOGDHNIPEHUAMJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.02
Rot. Bonds2

About 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole

2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole (PubChem CID 90367981) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
PubChem CID90367981
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
SMILESCc1ccc(-c2ccc(-c3ncco3)cc2)c(C)n1
InChIInChI=1S/C16H14N2O/c1-11-3-8-15(12(2)18-11)13-4-6-14(7-5-13)16-17-9-10-19-16/h3-10H,1-2H3
InChIKeyYOGDHNIPEHUAMJ-UHFFFAOYSA-N
XLogP4.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole?
The IUPAC name of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole (CID 90367981) is 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole?
The canonical SMILES for 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole is Cc1ccc(-c2ccc(-c3ncco3)cc2)c(C)n1.
What is the InChIKey of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole?
The InChIKey is YOGDHNIPEHUAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-11-3-8-15(12(2)18-11)13-4-6-14(7-5-13)16-17-9-10-19-16/h3-10H,1-2H3.
What are the key properties of 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole?
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole has a molecular weight of 250.30 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole is sourced from PubChem (CID 90367981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).