N-(1,2-oxazol-5-yl)carbamoyl chloride

C4H3ClN2O2 — CID 88756835

IUPACN-(1,2-oxazol-5-yl)carbamoyl chloride
SMILESO=C(Cl)Nc1ccno1
InChIInChI=1S/C4H3ClN2O2/c5-4(8)7-3-1-2-6-9-3/h1-2H,(H,7,8)
InChIKeyXGGLWPBCIUJMOQ-UHFFFAOYSA-N
MW146.53 g/mol
LogP1.45
Rot. Bonds1

About N-(1,2-oxazol-5-yl)carbamoyl chloride

N-(1,2-oxazol-5-yl)carbamoyl chloride (PubChem CID 88756835) has the molecular formula C4H3ClN2O2 and a molecular weight of 146.53 g/mol. Its IUPAC name is N-(1,2-oxazol-5-yl)carbamoyl chloride.

Molecular Properties

Compound NameN-(1,2-oxazol-5-yl)carbamoyl chloride
PubChem CID88756835
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53 g/mol
Exact Mass145.99
IUPAC NameN-(1,2-oxazol-5-yl)carbamoyl chloride
SMILESO=C(Cl)Nc1ccno1
InChIInChI=1S/C4H3ClN2O2/c5-4(8)7-3-1-2-6-9-3/h1-2H,(H,7,8)
InChIKeyXGGLWPBCIUJMOQ-UHFFFAOYSA-N
XLogP1.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-yl)carbamoyl chloride?
The IUPAC name of N-(1,2-oxazol-5-yl)carbamoyl chloride (CID 88756835) is N-(1,2-oxazol-5-yl)carbamoyl chloride.
What is the SMILES notation for N-(1,2-oxazol-5-yl)carbamoyl chloride?
The canonical SMILES for N-(1,2-oxazol-5-yl)carbamoyl chloride is O=C(Cl)Nc1ccno1.
What is the InChIKey of N-(1,2-oxazol-5-yl)carbamoyl chloride?
The InChIKey is XGGLWPBCIUJMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2/c5-4(8)7-3-1-2-6-9-3/h1-2H,(H,7,8).
What are the key properties of N-(1,2-oxazol-5-yl)carbamoyl chloride?
N-(1,2-oxazol-5-yl)carbamoyl chloride has a molecular weight of 146.53 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-yl)carbamoyl chloride is sourced from PubChem (CID 88756835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).