(2-benzyl-1,3-benzoxazol-7-yl)methanol

C15H13NO2 — CID 76851596

IUPAC(2-benzyl-1,3-benzoxazol-7-yl)methanol
SMILESOCc1cccc2nc(Cc3ccccc3)oc12
InChIInChI=1S/C15H13NO2/c17-10-12-7-4-8-13-15(12)18-14(16-13)9-11-5-2-1-3-6-11/h1-8,17H,9-10H2
InChIKeyOLROJUDZKDZJBS-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.91
Rot. Bonds3

About (2-benzyl-1,3-benzoxazol-7-yl)methanol

(2-benzyl-1,3-benzoxazol-7-yl)methanol (PubChem CID 76851596) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is (2-benzyl-1,3-benzoxazol-7-yl)methanol.

Molecular Properties

Compound Name(2-benzyl-1,3-benzoxazol-7-yl)methanol
PubChem CID76851596
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name(2-benzyl-1,3-benzoxazol-7-yl)methanol
SMILESOCc1cccc2nc(Cc3ccccc3)oc12
InChIInChI=1S/C15H13NO2/c17-10-12-7-4-8-13-15(12)18-14(16-13)9-11-5-2-1-3-6-11/h1-8,17H,9-10H2
InChIKeyOLROJUDZKDZJBS-UHFFFAOYSA-N
XLogP2.91
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-benzyl-1,3-benzoxazol-7-yl)methanol?
The IUPAC name of (2-benzyl-1,3-benzoxazol-7-yl)methanol (CID 76851596) is (2-benzyl-1,3-benzoxazol-7-yl)methanol.
What is the SMILES notation for (2-benzyl-1,3-benzoxazol-7-yl)methanol?
The canonical SMILES for (2-benzyl-1,3-benzoxazol-7-yl)methanol is OCc1cccc2nc(Cc3ccccc3)oc12.
What is the InChIKey of (2-benzyl-1,3-benzoxazol-7-yl)methanol?
The InChIKey is OLROJUDZKDZJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-10-12-7-4-8-13-15(12)18-14(16-13)9-11-5-2-1-3-6-11/h1-8,17H,9-10H2.
What are the key properties of (2-benzyl-1,3-benzoxazol-7-yl)methanol?
(2-benzyl-1,3-benzoxazol-7-yl)methanol has a molecular weight of 239.27 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-1,3-benzoxazol-7-yl)methanol is sourced from PubChem (CID 76851596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).