(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate

C10H7BrN2O3 — CID 117215005

IUPAC(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
SMILESNc1cc(C(=O)Oc2ccccc2Br)no1
InChIInChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-8(6)15-10(14)7-5-9(12)16-13-7/h1-5H,12H2
InChIKeyDOPABXHCTVFXRD-UHFFFAOYSA-N
MW283.08 g/mol
LogP2.24
Rot. Bonds2

About (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate

(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate (PubChem CID 117215005) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Name(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
PubChem CID117215005
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate
SMILESNc1cc(C(=O)Oc2ccccc2Br)no1
InChIInChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-8(6)15-10(14)7-5-9(12)16-13-7/h1-5H,12H2
InChIKeyDOPABXHCTVFXRD-UHFFFAOYSA-N
XLogP2.24
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.24
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 (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate?
The IUPAC name of (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate (CID 117215005) is (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate.
What is the SMILES notation for (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate?
The canonical SMILES for (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate is Nc1cc(C(=O)Oc2ccccc2Br)no1.
What is the InChIKey of (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate?
The InChIKey is DOPABXHCTVFXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-6-3-1-2-4-8(6)15-10(14)7-5-9(12)16-13-7/h1-5H,12H2.
What are the key properties of (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate?
(2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate has a molecular weight of 283.08 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl) 5-amino-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 117215005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).