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

C8H10ClNO2 — CID 19439791

IUPAC5-butyl-1,2-oxazole-4-carbonyl chloride
SMILESCCCCc1oncc1C(=O)Cl
InChIInChI=1S/C8H10ClNO2/c1-2-3-4-7-6(8(9)11)5-10-12-7/h5H,2-4H2,1H3
InChIKeyMFWVUXQQNCGGPX-UHFFFAOYSA-N
MW187.63 g/mol
LogP2.40
Rot. Bonds4

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

5-butyl-1,2-oxazole-4-carbonyl chloride (PubChem CID 19439791) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-butyl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-butyl-1,2-oxazole-4-carbonyl chloride
PubChem CID19439791
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name5-butyl-1,2-oxazole-4-carbonyl chloride
SMILESCCCCc1oncc1C(=O)Cl
InChIInChI=1S/C8H10ClNO2/c1-2-3-4-7-6(8(9)11)5-10-12-7/h5H,2-4H2,1H3
InChIKeyMFWVUXQQNCGGPX-UHFFFAOYSA-N
XLogP2.40
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.40
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

1-(5-Cyclopropyl-1,2-oxazol-4-yl)ethan-1-one
CID 84649495
1-(5-Methyl-1,2-oxazol-4-yl)propan-1-one
CID 139227081
5-Cyclopropylisoxazole-4-carbonyl chloride
CID 14819893
5-Propyl-1,2-oxazole-4-carbonyl chloride
CID 19439757
5-Ethylisoxazole-4-carbonyl chloride
CID 19439804
5-tert-Butyl-1,2-oxazole-4-carbonyl chloride
CID 45081602
2-Methyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one
CID 57789312
2,2-Dimethyl-1-(5-methyl-1,2-oxazol-4-yl)propan-1-one
CID 57894460
5-Propyl-1,2-oxazole-4-carboxamide
CID 67871556
5-Pentyl-1,2-oxazole-4-carbonyl chloride
CID 88775384
Cyclopropyl-(5-octyl-1,2-oxazol-4-yl)methanone
CID 140093881
1-(5-Ethyl-1,2-oxazol-4-yl)octan-1-one
CID 140093882

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 5-butyl-1,2-oxazole-4-carbonyl chloride (CID 19439791) is 5-butyl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-butyl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-butyl-1,2-oxazole-4-carbonyl chloride is CCCCc1oncc1C(=O)Cl.
What is the InChIKey of 5-butyl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is MFWVUXQQNCGGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-2-3-4-7-6(8(9)11)5-10-12-7/h5H,2-4H2,1H3.
What are the key properties of 5-butyl-1,2-oxazole-4-carbonyl chloride?
5-butyl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 187.63 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 19439791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).