4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole

C14H17NO — CID 58157922

IUPAC4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole
SMILESCC(C)(C)Cc1ncoc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-14(2,3)9-12-13(16-10-15-12)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyHJYZATQREUMQJM-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.93
Rot. Bonds2

About 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole

4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole (PubChem CID 58157922) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole
PubChem CID58157922
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole
SMILESCC(C)(C)Cc1ncoc1-c1ccccc1
InChIInChI=1S/C14H17NO/c1-14(2,3)9-12-13(16-10-15-12)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyHJYZATQREUMQJM-UHFFFAOYSA-N
XLogP3.93
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole (CID 58157922) is 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole is CC(C)(C)Cc1ncoc1-c1ccccc1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole?
The InChIKey is HJYZATQREUMQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,3)9-12-13(16-10-15-12)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole?
4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole has a molecular weight of 215.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 58157922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).