phenyl 5-amino-1,2-oxazole-3-carboxylate

C10H8N2O3 — CID 117215001

IUPACphenyl 5-amino-1,2-oxazole-3-carboxylate
SMILESNc1cc(C(=O)Oc2ccccc2)no1
InChIInChI=1S/C10H8N2O3/c11-9-6-8(12-15-9)10(13)14-7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyBNJBXJVSGHEILF-UHFFFAOYSA-N
MW204.19 g/mol
LogP1.48
Rot. Bonds2

About phenyl 5-amino-1,2-oxazole-3-carboxylate

phenyl 5-amino-1,2-oxazole-3-carboxylate (PubChem CID 117215001) has the molecular formula C10H8N2O3 and a molecular weight of 204.19 g/mol. Its IUPAC name is phenyl 5-amino-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Namephenyl 5-amino-1,2-oxazole-3-carboxylate
PubChem CID117215001
Molecular FormulaC10H8N2O3
Molecular Weight204.19 g/mol
Exact Mass204.05
IUPAC Namephenyl 5-amino-1,2-oxazole-3-carboxylate
SMILESNc1cc(C(=O)Oc2ccccc2)no1
InChIInChI=1S/C10H8N2O3/c11-9-6-8(12-15-9)10(13)14-7-4-2-1-3-5-7/h1-6H,11H2
InChIKeyBNJBXJVSGHEILF-UHFFFAOYSA-N
XLogP1.48
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 51.48
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 phenyl 5-amino-1,2-oxazole-3-carboxylate?
The IUPAC name of phenyl 5-amino-1,2-oxazole-3-carboxylate (CID 117215001) is phenyl 5-amino-1,2-oxazole-3-carboxylate.
What is the SMILES notation for phenyl 5-amino-1,2-oxazole-3-carboxylate?
The canonical SMILES for phenyl 5-amino-1,2-oxazole-3-carboxylate is Nc1cc(C(=O)Oc2ccccc2)no1.
What is the InChIKey of phenyl 5-amino-1,2-oxazole-3-carboxylate?
The InChIKey is BNJBXJVSGHEILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3/c11-9-6-8(12-15-9)10(13)14-7-4-2-1-3-5-7/h1-6H,11H2.
What are the key properties of phenyl 5-amino-1,2-oxazole-3-carboxylate?
phenyl 5-amino-1,2-oxazole-3-carboxylate has a molecular weight of 204.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-amino-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 117215001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).