5-tert-butyl-1,3-oxazole-4-carbonyl chloride

C8H10ClNO2 — CID 26967346

IUPAC5-tert-butyl-1,3-oxazole-4-carbonyl chloride
SMILESCC(C)(C)c1ocnc1C(=O)Cl
InChIInChI=1S/C8H10ClNO2/c1-8(2,3)6-5(7(9)11)10-4-12-6/h4H,1-3H3
InChIKeyVQDSWPBSJUAOAI-UHFFFAOYSA-N
MW187.63 g/mol
LogP2.35
Rot. Bonds1

About 5-tert-butyl-1,3-oxazole-4-carbonyl chloride

5-tert-butyl-1,3-oxazole-4-carbonyl chloride (PubChem CID 26967346) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 5-tert-butyl-1,3-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name5-tert-butyl-1,3-oxazole-4-carbonyl chloride
PubChem CID26967346
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name5-tert-butyl-1,3-oxazole-4-carbonyl chloride
SMILESCC(C)(C)c1ocnc1C(=O)Cl
InChIInChI=1S/C8H10ClNO2/c1-8(2,3)6-5(7(9)11)10-4-12-6/h4H,1-3H3
InChIKeyVQDSWPBSJUAOAI-UHFFFAOYSA-N
XLogP2.35
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 52.35
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

5-Tert-butyloxazole-4-carboxaldehyde
CID 21031488
5-Tert-butyl-4-(chloromethyl)-1,3-oxazole
CID 79145143
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-(2-Methylbutan-2-yl)-1,3-oxazole-4-carbaldehyde
CID 89358368
2-Bromo-1-(5-tert-butyl-1,3-oxazol-4-yl)ethanone
CID 118030381
2-Chloro-1-[5-(2-methylpropyl)-1,3-oxazol-4-yl]ethanone
CID 118134449
(5-Tert-butyl-1,3-oxazol-4-yl)-deuteriomethanone
CID 154018354
5-Ethyl-1,3-oxazole-4-carbonyl chloride
CID 55297128
4-(Tert-butyl)oxazole-5-carbonyl chloride
CID 71629078
2-Chloro-5-propan-2-yl-1,3-oxazole-4-carbaldehyde
CID 84654772

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,3-oxazole-4-carbonyl chloride?
The IUPAC name of 5-tert-butyl-1,3-oxazole-4-carbonyl chloride (CID 26967346) is 5-tert-butyl-1,3-oxazole-4-carbonyl chloride.
What is the SMILES notation for 5-tert-butyl-1,3-oxazole-4-carbonyl chloride?
The canonical SMILES for 5-tert-butyl-1,3-oxazole-4-carbonyl chloride is CC(C)(C)c1ocnc1C(=O)Cl.
What is the InChIKey of 5-tert-butyl-1,3-oxazole-4-carbonyl chloride?
The InChIKey is VQDSWPBSJUAOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-8(2,3)6-5(7(9)11)10-4-12-6/h4H,1-3H3.
What are the key properties of 5-tert-butyl-1,3-oxazole-4-carbonyl chloride?
5-tert-butyl-1,3-oxazole-4-carbonyl chloride has a molecular weight of 187.63 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,3-oxazole-4-carbonyl chloride is sourced from PubChem (CID 26967346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).