4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol

C9H8N2O3 — CID 137015300

IUPAC4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
SMILESNc1cc(-c2ccc(O)cc2O)on1
InChIInChI=1S/C9H8N2O3/c10-9-4-8(14-11-9)6-2-1-5(12)3-7(6)13/h1-4,12-13H,(H2,10,11)
InChIKeyXZDOIJPNCPJCGL-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.34
Rot. Bonds1

About 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol

4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol (PubChem CID 137015300) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol.

Molecular Properties

Compound Name4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
PubChem CID137015300
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol
SMILESNc1cc(-c2ccc(O)cc2O)on1
InChIInChI=1S/C9H8N2O3/c10-9-4-8(14-11-9)6-2-1-5(12)3-7(6)13/h1-4,12-13H,(H2,10,11)
InChIKeyXZDOIJPNCPJCGL-UHFFFAOYSA-N
XLogP1.34
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol?
The IUPAC name of 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol (CID 137015300) is 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol.
What is the SMILES notation for 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol?
The canonical SMILES for 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol is Nc1cc(-c2ccc(O)cc2O)on1.
What is the InChIKey of 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol?
The InChIKey is XZDOIJPNCPJCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c10-9-4-8(14-11-9)6-2-1-5(12)3-7(6)13/h1-4,12-13H,(H2,10,11).
What are the key properties of 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol?
4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol has a molecular weight of 192.17 g/mol, XLogP of 1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1,2-oxazol-5-yl)benzene-1,3-diol is sourced from PubChem (CID 137015300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).