6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol

C11H15NO2 — CID 134479038

IUPAC6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol
SMILESCC(C)(C)c1ccc2c(c1)OC(O)N2
InChIInChI=1S/C11H15NO2/c1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8/h4-6,10,12-13H,1-3H3
InChIKeyIDUNTSMOQWZSJO-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.06
Rot. Bonds

About 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol

6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol (PubChem CID 134479038) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol.

Molecular Properties

Compound Name6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol
PubChem CID134479038
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol
SMILESCC(C)(C)c1ccc2c(c1)OC(O)N2
InChIInChI=1S/C11H15NO2/c1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8/h4-6,10,12-13H,1-3H3
InChIKeyIDUNTSMOQWZSJO-UHFFFAOYSA-N
XLogP2.06
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol?
The IUPAC name of 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol (CID 134479038) is 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol.
What is the SMILES notation for 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol?
The canonical SMILES for 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol is CC(C)(C)c1ccc2c(c1)OC(O)N2.
What is the InChIKey of 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol?
The InChIKey is IDUNTSMOQWZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,3)7-4-5-8-9(6-7)14-10(13)12-8/h4-6,10,12-13H,1-3H3.
What are the key properties of 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol?
6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol has a molecular weight of 193.25 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2,3-dihydro-1,3-benzoxazol-2-ol is sourced from PubChem (CID 134479038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).