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

C14H19NO — CID 86227482

IUPAC2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(Cc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-14(2,3)12-10-16-13(15-12)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyCSLFAJCZLRINRW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.07
Rot. Bonds2

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

2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole (PubChem CID 86227482) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole
PubChem CID86227482
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(Cc2ccccc2)=N1
InChIInChI=1S/C14H19NO/c1-14(2,3)12-10-16-13(15-12)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyCSLFAJCZLRINRW-UHFFFAOYSA-N
XLogP3.07
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole (CID 86227482) is 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(Cc2ccccc2)=N1.
What is the InChIKey of 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CSLFAJCZLRINRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)12-10-16-13(15-12)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole?
2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole has a molecular weight of 217.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-tert-butyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 86227482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).