5,5-dimethyl-4-phenyl-4H-1,3-oxazole

C11H13NO — CID 15903719

IUPAC5,5-dimethyl-4-phenyl-4H-1,3-oxazole
SMILESCC1(C)OC=NC1c1ccccc1
InChIInChI=1S/C11H13NO/c1-11(2)10(12-8-13-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyNIEXLEFVSCTDSQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.56
Rot. Bonds1

About 5,5-dimethyl-4-phenyl-4H-1,3-oxazole

5,5-dimethyl-4-phenyl-4H-1,3-oxazole (PubChem CID 15903719) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 5,5-dimethyl-4-phenyl-4H-1,3-oxazole.

Molecular Properties

Compound Name5,5-dimethyl-4-phenyl-4H-1,3-oxazole
PubChem CID15903719
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name5,5-dimethyl-4-phenyl-4H-1,3-oxazole
SMILESCC1(C)OC=NC1c1ccccc1
InChIInChI=1S/C11H13NO/c1-11(2)10(12-8-13-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKeyNIEXLEFVSCTDSQ-UHFFFAOYSA-N
XLogP2.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The IUPAC name of 5,5-dimethyl-4-phenyl-4H-1,3-oxazole (CID 15903719) is 5,5-dimethyl-4-phenyl-4H-1,3-oxazole.
What is the SMILES notation for 5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The canonical SMILES for 5,5-dimethyl-4-phenyl-4H-1,3-oxazole is CC1(C)OC=NC1c1ccccc1.
What is the InChIKey of 5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
The InChIKey is NIEXLEFVSCTDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-11(2)10(12-8-13-11)9-6-4-3-5-7-9/h3-8,10H,1-2H3.
What are the key properties of 5,5-dimethyl-4-phenyl-4H-1,3-oxazole?
5,5-dimethyl-4-phenyl-4H-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-phenyl-4H-1,3-oxazole is sourced from PubChem (CID 15903719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).