(4-hydroxyphenyl) 1,2-oxazole-4-carboxylate

C10H7NO4 — CID 142783164

IUPAC(4-hydroxyphenyl) 1,2-oxazole-4-carboxylate
SMILESO=C(Oc1ccc(O)cc1)c1cnoc1
InChIInChI=1S/C10H7NO4/c12-8-1-3-9(4-2-8)15-10(13)7-5-11-14-6-7/h1-6,12H
InChIKeyAOMZHRCHKFJSNC-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.60
Rot. Bonds2

About (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate

(4-hydroxyphenyl) 1,2-oxazole-4-carboxylate (PubChem CID 142783164) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name(4-hydroxyphenyl) 1,2-oxazole-4-carboxylate
PubChem CID142783164
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name(4-hydroxyphenyl) 1,2-oxazole-4-carboxylate
SMILESO=C(Oc1ccc(O)cc1)c1cnoc1
InChIInChI=1S/C10H7NO4/c12-8-1-3-9(4-2-8)15-10(13)7-5-11-14-6-7/h1-6,12H
InChIKeyAOMZHRCHKFJSNC-UHFFFAOYSA-N
XLogP1.60
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate?
The IUPAC name of (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate (CID 142783164) is (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate.
What is the SMILES notation for (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate?
The canonical SMILES for (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate is O=C(Oc1ccc(O)cc1)c1cnoc1.
What is the InChIKey of (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate?
The InChIKey is AOMZHRCHKFJSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-1-3-9(4-2-8)15-10(13)7-5-11-14-6-7/h1-6,12H.
What are the key properties of (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate?
(4-hydroxyphenyl) 1,2-oxazole-4-carboxylate has a molecular weight of 205.17 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl) 1,2-oxazole-4-carboxylate is sourced from PubChem (CID 142783164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).