[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol

C15H13NO3 — CID 82357792

IUPAC[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
SMILESOCc1ccc2nc(COc3ccccc3)oc2c1
InChIInChI=1S/C15H13NO3/c17-9-11-6-7-13-14(8-11)19-15(16-13)10-18-12-4-2-1-3-5-12/h1-8,17H,9-10H2
InChIKeyHWYOFIBJHZKXKE-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.90
Rot. Bonds4

About [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol

[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol (PubChem CID 82357792) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol.

Molecular Properties

Compound Name[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
PubChem CID82357792
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol
SMILESOCc1ccc2nc(COc3ccccc3)oc2c1
InChIInChI=1S/C15H13NO3/c17-9-11-6-7-13-14(8-11)19-15(16-13)10-18-12-4-2-1-3-5-12/h1-8,17H,9-10H2
InChIKeyHWYOFIBJHZKXKE-UHFFFAOYSA-N
XLogP2.90
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol?
The IUPAC name of [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol (CID 82357792) is [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol.
What is the SMILES notation for [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol?
The canonical SMILES for [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol is OCc1ccc2nc(COc3ccccc3)oc2c1.
What is the InChIKey of [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol?
The InChIKey is HWYOFIBJHZKXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-9-11-6-7-13-14(8-11)19-15(16-13)10-18-12-4-2-1-3-5-12/h1-8,17H,9-10H2.
What are the key properties of [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol?
[2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol has a molecular weight of 255.27 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phenoxymethyl)-1,3-benzoxazol-6-yl]methanol is sourced from PubChem (CID 82357792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).