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

C13H17NO — CID 139437669

IUPAC2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C13H17NO/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12/h4-6,9H,7-8H2,1-3H3
InChIKeyQGBNMKHTEJQQEJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.76
Rot. Bonds1

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

2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 139437669) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID139437669
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C13H17NO/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12/h4-6,9H,7-8H2,1-3H3
InChIKeyQGBNMKHTEJQQEJ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole (CID 139437669) is 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole is CC(C)(C)c1cccc(C2=NCCO2)c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is QGBNMKHTEJQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(2,3)11-6-4-5-10(9-11)12-14-7-8-15-12/h4-6,9H,7-8H2,1-3H3.
What are the key properties of 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole?
2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 203.28 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 139437669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).