2-amino-4-chloro-1,3-oxazole-5-carbaldehyde

C4H3ClN2O2 — CID 83815274

IUPAC2-amino-4-chloro-1,3-oxazole-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)o1
InChIInChI=1S/C4H3ClN2O2/c5-3-2(1-8)9-4(6)7-3/h1H,(H2,6,7)
InChIKeyMLTGRBYFCDXLNA-UHFFFAOYSA-N
MW146.53 g/mol
LogP0.72
Rot. Bonds1

About 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde

2-amino-4-chloro-1,3-oxazole-5-carbaldehyde (PubChem CID 83815274) has the molecular formula C4H3ClN2O2 and a molecular weight of 146.53 g/mol. Its IUPAC name is 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-amino-4-chloro-1,3-oxazole-5-carbaldehyde
PubChem CID83815274
Molecular FormulaC4H3ClN2O2
Molecular Weight146.53 g/mol
Exact Mass145.99
IUPAC Name2-amino-4-chloro-1,3-oxazole-5-carbaldehyde
SMILESNc1nc(Cl)c(C=O)o1
InChIInChI=1S/C4H3ClN2O2/c5-3-2(1-8)9-4(6)7-3/h1H,(H2,6,7)
InChIKeyMLTGRBYFCDXLNA-UHFFFAOYSA-N
XLogP0.72
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.53
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde (CID 83815274) is 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde is Nc1nc(Cl)c(C=O)o1.
What is the InChIKey of 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde?
The InChIKey is MLTGRBYFCDXLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClN2O2/c5-3-2(1-8)9-4(6)7-3/h1H,(H2,6,7).
What are the key properties of 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde?
2-amino-4-chloro-1,3-oxazole-5-carbaldehyde has a molecular weight of 146.53 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 83815274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).