(2-tert-butyl-1,3-benzoxazol-4-yl)methanol

C12H15NO2 — CID 118375075

IUPAC(2-tert-butyl-1,3-benzoxazol-4-yl)methanol
SMILESCC(C)(C)c1nc2c(CO)cccc2o1
InChIInChI=1S/C12H15NO2/c1-12(2,3)11-13-10-8(7-14)5-4-6-9(10)15-11/h4-6,14H,7H2,1-3H3
InChIKeyUMSOMZKQMKCQLC-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.62
Rot. Bonds1

About (2-tert-butyl-1,3-benzoxazol-4-yl)methanol

(2-tert-butyl-1,3-benzoxazol-4-yl)methanol (PubChem CID 118375075) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2-tert-butyl-1,3-benzoxazol-4-yl)methanol.

Molecular Properties

Compound Name(2-tert-butyl-1,3-benzoxazol-4-yl)methanol
PubChem CID118375075
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2-tert-butyl-1,3-benzoxazol-4-yl)methanol
SMILESCC(C)(C)c1nc2c(CO)cccc2o1
InChIInChI=1S/C12H15NO2/c1-12(2,3)11-13-10-8(7-14)5-4-6-9(10)15-11/h4-6,14H,7H2,1-3H3
InChIKeyUMSOMZKQMKCQLC-UHFFFAOYSA-N
XLogP2.62
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1,3-benzoxazol-4-yl)methanol?
The IUPAC name of (2-tert-butyl-1,3-benzoxazol-4-yl)methanol (CID 118375075) is (2-tert-butyl-1,3-benzoxazol-4-yl)methanol.
What is the SMILES notation for (2-tert-butyl-1,3-benzoxazol-4-yl)methanol?
The canonical SMILES for (2-tert-butyl-1,3-benzoxazol-4-yl)methanol is CC(C)(C)c1nc2c(CO)cccc2o1.
What is the InChIKey of (2-tert-butyl-1,3-benzoxazol-4-yl)methanol?
The InChIKey is UMSOMZKQMKCQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(2,3)11-13-10-8(7-14)5-4-6-9(10)15-11/h4-6,14H,7H2,1-3H3.
What are the key properties of (2-tert-butyl-1,3-benzoxazol-4-yl)methanol?
(2-tert-butyl-1,3-benzoxazol-4-yl)methanol has a molecular weight of 205.26 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1,3-benzoxazol-4-yl)methanol is sourced from PubChem (CID 118375075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).