4-(1,3-oxazol-5-yl)phenol

C9H7NO2 — CID 53393783

IUPAC4-(1,3-oxazol-5-yl)phenol
SMILESOc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
InChIKeyDKJOJWMIGCSJKJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP2.05
Rot. Bonds1

About 4-(1,3-oxazol-5-yl)phenol

4-(1,3-oxazol-5-yl)phenol (PubChem CID 53393783) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 4-(1,3-oxazol-5-yl)phenol.

Molecular Properties

Compound Name4-(1,3-oxazol-5-yl)phenol
PubChem CID53393783
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name4-(1,3-oxazol-5-yl)phenol
SMILESOc1ccc(-c2cnco2)cc1
InChIInChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
InChIKeyDKJOJWMIGCSJKJ-UHFFFAOYSA-N
XLogP2.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-5-yl)phenol?
The IUPAC name of 4-(1,3-oxazol-5-yl)phenol (CID 53393783) is 4-(1,3-oxazol-5-yl)phenol.
What is the SMILES notation for 4-(1,3-oxazol-5-yl)phenol?
The canonical SMILES for 4-(1,3-oxazol-5-yl)phenol is Oc1ccc(-c2cnco2)cc1.
What is the InChIKey of 4-(1,3-oxazol-5-yl)phenol?
The InChIKey is DKJOJWMIGCSJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H.
What are the key properties of 4-(1,3-oxazol-5-yl)phenol?
4-(1,3-oxazol-5-yl)phenol has a molecular weight of 161.16 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-5-yl)phenol is sourced from PubChem (CID 53393783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).