3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride

C13H11Cl2NO2 — CID 118060324

IUPAC3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
SMILESCC(C)c1onc(-c2ccccc2Cl)c1C(=O)Cl
InChIInChI=1S/C13H11Cl2NO2/c1-7(2)12-10(13(15)17)11(16-18-12)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyOOEYDYDIKDJSRQ-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.50
Rot. Bonds3

About 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride

3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride (PubChem CID 118060324) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
PubChem CID118060324
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
SMILESCC(C)c1onc(-c2ccccc2Cl)c1C(=O)Cl
InChIInChI=1S/C13H11Cl2NO2/c1-7(2)12-10(13(15)17)11(16-18-12)8-5-3-4-6-9(8)14/h3-7H,1-2H3
InChIKeyOOEYDYDIKDJSRQ-UHFFFAOYSA-N
XLogP4.50
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.50
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

3-phenyl-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 21317239
3-(4-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride
CID 139632562
methyl 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 22176607
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 884674
ethyl 3-(2-chloro-6-methylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 142332307
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]but-3-en-1-one
CID 11032674
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2-chlorophenyl)-5-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]-1,2-oxazole-4-carboxamide
CID 17147423
3-(2-chlorophenyl)-N'-(furan-2-carbonyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 9366641

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride?
The IUPAC name of 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride (CID 118060324) is 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride.
What is the SMILES notation for 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride?
The canonical SMILES for 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride is CC(C)c1onc(-c2ccccc2Cl)c1C(=O)Cl.
What is the InChIKey of 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride?
The InChIKey is OOEYDYDIKDJSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-7(2)12-10(13(15)17)11(16-18-12)8-5-3-4-6-9(8)14/h3-7H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride?
3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride has a molecular weight of 284.14 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carbonyl chloride is sourced from PubChem (CID 118060324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).