2,4-dimethyl-4-phenyl-5H-1,3-oxazole

C11H13NO — CID 70189853

IUPAC2,4-dimethyl-4-phenyl-5H-1,3-oxazole
SMILESCC1=NC(C)(c2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-9-12-11(2,8-13-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyDDKABSSWXUMTHQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.35
Rot. Bonds1

About 2,4-dimethyl-4-phenyl-5H-1,3-oxazole

2,4-dimethyl-4-phenyl-5H-1,3-oxazole (PubChem CID 70189853) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 2,4-dimethyl-4-phenyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-4-phenyl-5H-1,3-oxazole
PubChem CID70189853
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name2,4-dimethyl-4-phenyl-5H-1,3-oxazole
SMILESCC1=NC(C)(c2ccccc2)CO1
InChIInChI=1S/C11H13NO/c1-9-12-11(2,8-13-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3
InChIKeyDDKABSSWXUMTHQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-phenyl-5H-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-4-phenyl-5H-1,3-oxazole (CID 70189853) is 2,4-dimethyl-4-phenyl-5H-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-4-phenyl-5H-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-4-phenyl-5H-1,3-oxazole is CC1=NC(C)(c2ccccc2)CO1.
What is the InChIKey of 2,4-dimethyl-4-phenyl-5H-1,3-oxazole?
The InChIKey is DDKABSSWXUMTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9-12-11(2,8-13-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-4-phenyl-5H-1,3-oxazole?
2,4-dimethyl-4-phenyl-5H-1,3-oxazole has a molecular weight of 175.23 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-phenyl-5H-1,3-oxazole is sourced from PubChem (CID 70189853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).