3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole

C13H17NO — CID 10910614

IUPAC3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C13H17NO/c1-13(2,3)12-9-11(15-14-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyGAJQZFVOKMVYST-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.55
Rot. Bonds1

About 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole

3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 10910614) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID10910614
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole
SMILESCC(C)(C)C1=NOC(c2ccccc2)C1
InChIInChI=1S/C13H17NO/c1-13(2,3)12-9-11(15-14-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
InChIKeyGAJQZFVOKMVYST-UHFFFAOYSA-N
XLogP3.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole (CID 10910614) is 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole is CC(C)(C)C1=NOC(c2ccccc2)C1.
What is the InChIKey of 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is GAJQZFVOKMVYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)12-9-11(15-14-12)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3.
What are the key properties of 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole?
3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 203.28 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 10910614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).