5-tert-butyl-4-ethenyl-1,3-oxazole

C9H13NO — CID 21031486

IUPAC5-tert-butyl-4-ethenyl-1,3-oxazole
SMILESC=Cc1ncoc1C(C)(C)C
InChIInChI=1S/C9H13NO/c1-5-7-8(9(2,3)4)11-6-10-7/h5-6H,1H2,2-4H3
InChIKeyPRYDKPSHHNPYNI-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.62
Rot. Bonds1

About 5-tert-butyl-4-ethenyl-1,3-oxazole

5-tert-butyl-4-ethenyl-1,3-oxazole (PubChem CID 21031486) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-tert-butyl-4-ethenyl-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-4-ethenyl-1,3-oxazole
PubChem CID21031486
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-tert-butyl-4-ethenyl-1,3-oxazole
SMILESC=Cc1ncoc1C(C)(C)C
InChIInChI=1S/C9H13NO/c1-5-7-8(9(2,3)4)11-6-10-7/h5-6H,1H2,2-4H3
InChIKeyPRYDKPSHHNPYNI-UHFFFAOYSA-N
XLogP2.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-ethenyl-1,3-oxazole?
The IUPAC name of 5-tert-butyl-4-ethenyl-1,3-oxazole (CID 21031486) is 5-tert-butyl-4-ethenyl-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-4-ethenyl-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-4-ethenyl-1,3-oxazole is C=Cc1ncoc1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-ethenyl-1,3-oxazole?
The InChIKey is PRYDKPSHHNPYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-5-7-8(9(2,3)4)11-6-10-7/h5-6H,1H2,2-4H3.
What are the key properties of 5-tert-butyl-4-ethenyl-1,3-oxazole?
5-tert-butyl-4-ethenyl-1,3-oxazole has a molecular weight of 151.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-ethenyl-1,3-oxazole is sourced from PubChem (CID 21031486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).