4-(1,2-oxazol-3-ylmethyl)phenol

C10H9NO2 — CID 171846584

IUPAC4-(1,2-oxazol-3-ylmethyl)phenol
SMILESOc1ccc(Cc2ccon2)cc1
InChIInChI=1S/C10H9NO2/c12-10-3-1-8(2-4-10)7-9-5-6-13-11-9/h1-6,12H,7H2
InChIKeyQGOQHRPEOKDVRJ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.97
Rot. Bonds2

About 4-(1,2-oxazol-3-ylmethyl)phenol

4-(1,2-oxazol-3-ylmethyl)phenol (PubChem CID 171846584) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-ylmethyl)phenol.

Molecular Properties

Compound Name4-(1,2-oxazol-3-ylmethyl)phenol
PubChem CID171846584
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-(1,2-oxazol-3-ylmethyl)phenol
SMILESOc1ccc(Cc2ccon2)cc1
InChIInChI=1S/C10H9NO2/c12-10-3-1-8(2-4-10)7-9-5-6-13-11-9/h1-6,12H,7H2
InChIKeyQGOQHRPEOKDVRJ-UHFFFAOYSA-N
XLogP1.97
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-3-ylmethyl)phenol?
The IUPAC name of 4-(1,2-oxazol-3-ylmethyl)phenol (CID 171846584) is 4-(1,2-oxazol-3-ylmethyl)phenol.
What is the SMILES notation for 4-(1,2-oxazol-3-ylmethyl)phenol?
The canonical SMILES for 4-(1,2-oxazol-3-ylmethyl)phenol is Oc1ccc(Cc2ccon2)cc1.
What is the InChIKey of 4-(1,2-oxazol-3-ylmethyl)phenol?
The InChIKey is QGOQHRPEOKDVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-10-3-1-8(2-4-10)7-9-5-6-13-11-9/h1-6,12H,7H2.
What are the key properties of 4-(1,2-oxazol-3-ylmethyl)phenol?
4-(1,2-oxazol-3-ylmethyl)phenol has a molecular weight of 175.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-ylmethyl)phenol is sourced from PubChem (CID 171846584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).