(3-benzyl-1,2-oxazol-5-yl)methanol

C11H11NO2 — CID 10487884

IUPAC(3-benzyl-1,2-oxazol-5-yl)methanol
SMILESOCc1cc(Cc2ccccc2)no1
InChIInChI=1S/C11H11NO2/c13-8-11-7-10(12-14-11)6-9-4-2-1-3-5-9/h1-5,7,13H,6,8H2
InChIKeySKCJRQAZVNRZHY-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.76
Rot. Bonds3

About (3-benzyl-1,2-oxazol-5-yl)methanol

(3-benzyl-1,2-oxazol-5-yl)methanol (PubChem CID 10487884) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (3-benzyl-1,2-oxazol-5-yl)methanol.

Molecular Properties

Compound Name(3-benzyl-1,2-oxazol-5-yl)methanol
PubChem CID10487884
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(3-benzyl-1,2-oxazol-5-yl)methanol
SMILESOCc1cc(Cc2ccccc2)no1
InChIInChI=1S/C11H11NO2/c13-8-11-7-10(12-14-11)6-9-4-2-1-3-5-9/h1-5,7,13H,6,8H2
InChIKeySKCJRQAZVNRZHY-UHFFFAOYSA-N
XLogP1.76
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-benzyl-1,2-oxazol-5-yl)methanol?
The IUPAC name of (3-benzyl-1,2-oxazol-5-yl)methanol (CID 10487884) is (3-benzyl-1,2-oxazol-5-yl)methanol.
What is the SMILES notation for (3-benzyl-1,2-oxazol-5-yl)methanol?
The canonical SMILES for (3-benzyl-1,2-oxazol-5-yl)methanol is OCc1cc(Cc2ccccc2)no1.
What is the InChIKey of (3-benzyl-1,2-oxazol-5-yl)methanol?
The InChIKey is SKCJRQAZVNRZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-8-11-7-10(12-14-11)6-9-4-2-1-3-5-9/h1-5,7,13H,6,8H2.
What are the key properties of (3-benzyl-1,2-oxazol-5-yl)methanol?
(3-benzyl-1,2-oxazol-5-yl)methanol has a molecular weight of 189.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-1,2-oxazol-5-yl)methanol is sourced from PubChem (CID 10487884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).