bis(1,3-oxazol-5-yl)methanol

C7H6N2O3 — CID 175811606

IUPACbis(1,3-oxazol-5-yl)methanol
SMILESOC(c1cnco1)c1cnco1
InChIInChI=1S/C7H6N2O3/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h1-4,7,10H
InChIKeyRZBFSVZGQRRAPM-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.74
Rot. Bonds2

About bis(1,3-oxazol-5-yl)methanol

bis(1,3-oxazol-5-yl)methanol (PubChem CID 175811606) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is bis(1,3-oxazol-5-yl)methanol.

Molecular Properties

Compound Namebis(1,3-oxazol-5-yl)methanol
PubChem CID175811606
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Namebis(1,3-oxazol-5-yl)methanol
SMILESOC(c1cnco1)c1cnco1
InChIInChI=1S/C7H6N2O3/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h1-4,7,10H
InChIKeyRZBFSVZGQRRAPM-UHFFFAOYSA-N
XLogP0.74
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-oxazol-5-yl)methanol?
The IUPAC name of bis(1,3-oxazol-5-yl)methanol (CID 175811606) is bis(1,3-oxazol-5-yl)methanol.
What is the SMILES notation for bis(1,3-oxazol-5-yl)methanol?
The canonical SMILES for bis(1,3-oxazol-5-yl)methanol is OC(c1cnco1)c1cnco1.
What is the InChIKey of bis(1,3-oxazol-5-yl)methanol?
The InChIKey is RZBFSVZGQRRAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c10-7(5-1-8-3-11-5)6-2-9-4-12-6/h1-4,7,10H.
What are the key properties of bis(1,3-oxazol-5-yl)methanol?
bis(1,3-oxazol-5-yl)methanol has a molecular weight of 166.14 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-oxazol-5-yl)methanol is sourced from PubChem (CID 175811606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).