2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole

C17H25NO — CID 643575

IUPAC2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1cc(C2=NCCO2)cc(C(C)(C)C)c1
InChIInChI=1S/C17H25NO/c1-16(2,3)13-9-12(15-18-7-8-19-15)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyBVPDJURARKNKLB-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.06
Rot. Bonds1

About 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole

2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 643575) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID643575
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1cc(C2=NCCO2)cc(C(C)(C)C)c1
InChIInChI=1S/C17H25NO/c1-16(2,3)13-9-12(15-18-7-8-19-15)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3
InChIKeyBVPDJURARKNKLB-UHFFFAOYSA-N
XLogP4.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole (CID 643575) is 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)c1cc(C2=NCCO2)cc(C(C)(C)C)c1.
What is the InChIKey of 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is BVPDJURARKNKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2,3)13-9-12(15-18-7-8-19-15)10-14(11-13)17(4,5)6/h9-11H,7-8H2,1-6H3.
What are the key properties of 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole?
2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 259.39 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-ditert-butylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 643575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).