5-cyclopropyl-1,2-oxazole-4-carbonyl chloride

C7H6ClNO2 — CID 14819893

IUPAC5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnoc1C1CC1
InChIInChI=1S/C7H6ClNO2/c8-7(10)5-3-9-11-6(5)4-1-2-4/h3-4H,1-2H2
InChIKeyHRRWQQNTPXPXEG-UHFFFAOYSA-N
MW171.58 g/mol
LogP1.93
Rot. Bonds2

About 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride

5-cyclopropyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 14819893) has the molecular formula C7H6ClNO2 and a molecular weight of 171.58 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
PubChem CID14819893
Molecular FormulaC7H6ClNO2
Molecular Weight171.58 g/mol
Exact Mass171.01
IUPAC Name5-cyclopropyl-1,2-oxazole-4-carbonyl chloride
SMILESO=C(Cl)c1cnoc1C1CC1
InChIInChI=1S/C7H6ClNO2/c8-7(10)5-3-9-11-6(5)4-1-2-4/h3-4H,1-2H2
InChIKeyHRRWQQNTPXPXEG-UHFFFAOYSA-N
XLogP1.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.58
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride (CID 14819893) is 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride is O=C(Cl)c1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is HRRWQQNTPXPXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2/c8-7(10)5-3-9-11-6(5)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride?
5-cyclopropyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 171.58 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 14819893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).