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

C16H20N2O2 — CID 4296341

IUPAC2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C3=NC(C)(C)CO3)cc2)=N1
InChIInChI=1S/C16H20N2O2/c1-15(2)9-19-13(17-15)11-5-7-12(8-6-11)14-18-16(3,4)10-20-14/h5-8H,9-10H2,1-4H3
InChIKeyGATDZUUWVARTOQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.80
Rot. Bonds2

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

2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 4296341) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID4296341
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccc(C3=NC(C)(C)CO3)cc2)=N1
InChIInChI=1S/C16H20N2O2/c1-15(2)9-19-13(17-15)11-5-7-12(8-6-11)14-18-16(3,4)10-20-14/h5-8H,9-10H2,1-4H3
InChIKeyGATDZUUWVARTOQ-UHFFFAOYSA-N
XLogP2.80
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 4296341) is 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccc(C3=NC(C)(C)CO3)cc2)=N1.
What is the InChIKey of 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GATDZUUWVARTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-15(2)9-19-13(17-15)11-5-7-12(8-6-11)14-18-16(3,4)10-20-14/h5-8H,9-10H2,1-4H3.
What are the key properties of 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 272.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 4296341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).