4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole

C17H18N2O — CID 10635476

IUPAC4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole
SMILESCC1(C)COC(C(c2ccccc2)c2ccccn2)=N1
InChIInChI=1S/C17H18N2O/c1-17(2)12-20-16(19-17)15(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-11,15H,12H2,1-2H3
InChIKeyIIVRKNDDOSDTNY-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.42
Rot. Bonds3

About 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole

4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole (PubChem CID 10635476) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole.

Molecular Properties

Compound Name4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole
PubChem CID10635476
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole
SMILESCC1(C)COC(C(c2ccccc2)c2ccccn2)=N1
InChIInChI=1S/C17H18N2O/c1-17(2)12-20-16(19-17)15(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-11,15H,12H2,1-2H3
InChIKeyIIVRKNDDOSDTNY-UHFFFAOYSA-N
XLogP3.42
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole?
The IUPAC name of 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole (CID 10635476) is 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole.
What is the SMILES notation for 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole?
The canonical SMILES for 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole is CC1(C)COC(C(c2ccccc2)c2ccccn2)=N1.
What is the InChIKey of 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole?
The InChIKey is IIVRKNDDOSDTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-17(2)12-20-16(19-17)15(13-8-4-3-5-9-13)14-10-6-7-11-18-14/h3-11,15H,12H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole?
4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole has a molecular weight of 266.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-[phenyl(pyridin-2-yl)methyl]-5H-1,3-oxazole is sourced from PubChem (CID 10635476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).