5-ethyl-1,3-oxazole-4-carbonyl chloride

C6H6ClNO2 — CID 55297128

IUPAC5-ethyl-1,3-oxazole-4-carbonyl chloride
SMILESCCc1ocnc1C(=O)Cl
InChIInChI=1S/C6H6ClNO2/c1-2-4-5(6(7)9)8-3-10-4/h3H,2H2,1H3
InChIKeyJMAWWJZWULJMEH-UHFFFAOYSA-N
MW159.57 g/mol
LogP1.62
Rot. Bonds2

About 5-ethyl-1,3-oxazole-4-carbonyl chloride

5-ethyl-1,3-oxazole-4-carbonyl chloride (PubChem CID 55297128) has the molecular formula C6H6ClNO2 and a molecular weight of 159.57 g/mol. Its IUPAC name is 5-ethyl-1,3-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-ethyl-1,3-oxazole-4-carbonyl chloride
PubChem CID55297128
Molecular FormulaC6H6ClNO2
Molecular Weight159.57 g/mol
Exact Mass159.01
IUPAC Name5-ethyl-1,3-oxazole-4-carbonyl chloride
SMILESCCc1ocnc1C(=O)Cl
InChIInChI=1S/C6H6ClNO2/c1-2-4-5(6(7)9)8-3-10-4/h3H,2H2,1H3
InChIKeyJMAWWJZWULJMEH-UHFFFAOYSA-N
XLogP1.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.57
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Chloro-1-(4-methyl-1,3-oxazol-5-yl)ethan-1-one
CID 81618094
5-Tert-butyloxazole-4-carboxaldehyde
CID 21031488
1-(5-Methyloxazol-4-yl)ethanone
CID 58221331
5-methyl-1,3-oxazole-4-carbonyl Chloride
CID 11194412
5-(2-Chloroethyl)-1,3-oxazole-4-carbaldehyde
CID 21435180
5-Ethyl-1,3-oxazole-4-carbaldehyde
CID 55296960
5-(Propan-2-yl)-1,3-oxazole-4-carbaldehyde
CID 82418393
(5-Tert-butyl-1,3-oxazol-4-yl)-deuteriomethanone
CID 154018354
5-(tert-Butyl)-1,3-oxazole-4-carbonyl chloride
CID 26967346
4-(Chloromethyl)-5-ethyl-1,3-oxazole
CID 79156321
2-Chloro-5-ethyl-1,3-oxazole-4-carbaldehyde
CID 84650971
1-(5-Acetyl-1,3-oxazol-4-yl)ethanone
CID 119084025

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-oxazole-4-carbonyl chloride?
The IUPAC name of 5-ethyl-1,3-oxazole-4-carbonyl chloride (CID 55297128) is 5-ethyl-1,3-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-ethyl-1,3-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-ethyl-1,3-oxazole-4-carbonyl chloride is CCc1ocnc1C(=O)Cl.
What is the InChIKey of 5-ethyl-1,3-oxazole-4-carbonyl chloride?
The InChIKey is JMAWWJZWULJMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2/c1-2-4-5(6(7)9)8-3-10-4/h3H,2H2,1H3.
What are the key properties of 5-ethyl-1,3-oxazole-4-carbonyl chloride?
5-ethyl-1,3-oxazole-4-carbonyl chloride has a molecular weight of 159.57 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-oxazole-4-carbonyl chloride is sourced from PubChem (CID 55297128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).