4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride

C9H10ClNO2 — CID 135621489

IUPAC4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride
SMILESCl.Oc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C9H9NO2.ClH/c11-8-3-1-7(2-4-8)9-10-5-6-12-9;/h1-4,11H,5-6H2;1H
InChIKeyZTZHBZMXSFNSNY-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.59
Rot. Bonds1

About 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride

4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride (PubChem CID 135621489) has the molecular formula C9H10ClNO2 and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride
PubChem CID135621489
Molecular FormulaC9H10ClNO2
Molecular Weight199.64 g/mol
Exact Mass199.04
IUPAC Name4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride
SMILESCl.Oc1ccc(C2=NCCO2)cc1
InChIInChI=1S/C9H9NO2.ClH/c11-8-3-1-7(2-4-8)9-10-5-6-12-9;/h1-4,11H,5-6H2;1H
InChIKeyZTZHBZMXSFNSNY-UHFFFAOYSA-N
XLogP1.59
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride?
The IUPAC name of 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride (CID 135621489) is 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride.
What is the SMILES notation for 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride?
The canonical SMILES for 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride is Cl.Oc1ccc(C2=NCCO2)cc1.
What is the InChIKey of 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride?
The InChIKey is ZTZHBZMXSFNSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.ClH/c11-8-3-1-7(2-4-8)9-10-5-6-12-9;/h1-4,11H,5-6H2;1H.
What are the key properties of 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride?
4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dihydro-1,3-oxazol-2-yl)phenol;hydrochloride is sourced from PubChem (CID 135621489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).