5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole

C11H9Cl2NO — CID 139270190

IUPAC5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
SMILESCC(Cl)c1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C11H9Cl2NO/c1-7(12)11-6-10(14-15-11)8-3-2-4-9(13)5-8/h2-7H,1H3
InChIKeyOIZMIRIWCQUCOW-UHFFFAOYSA-N
MW242.11 g/mol
LogP4.29
Rot. Bonds2

About 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole

5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole (PubChem CID 139270190) has the molecular formula C11H9Cl2NO and a molecular weight of 242.11 g/mol. Its IUPAC name is 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
PubChem CID139270190
Molecular FormulaC11H9Cl2NO
Molecular Weight242.11 g/mol
Exact Mass241.01
IUPAC Name5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole
SMILESCC(Cl)c1cc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C11H9Cl2NO/c1-7(12)11-6-10(14-15-11)8-3-2-4-9(13)5-8/h2-7H,1H3
InChIKeyOIZMIRIWCQUCOW-UHFFFAOYSA-N
XLogP4.29
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.11
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-3-(3-methylphenyl)-1,2-oxazole
CID 134528371
3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 3382841
1-[3-(3-bromophenyl)-1,2-oxazol-5-yl]ethanol
CID 166596785
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 119594663
3-[[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]-propan-2-ylamino]propanoic acid
CID 119207245
3-(3-chlorophenyl)-5-methyl-4-propan-2-yl-1,2-oxazole
CID 126625276
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
3-(3-chlorophenyl)-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,2-oxazole-5-carboxamide
CID 95348268
3-(1-chlorobutyl)-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 103095861
4-(3-chlorophenyl)-6-propan-2-ylpyrimidin-2-amine
CID 82296144
3-tert-butyl-5-(3-chlorophenyl)-1,2,4-oxadiazole
CID 143176683
5-bromo-3-(3-chlorophenyl)-1-methylpyrazole
CID 84713065

Frequently Asked Questions

What is the IUPAC name of 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole?
The IUPAC name of 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole (CID 139270190) is 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole is CC(Cl)c1cc(-c2cccc(Cl)c2)no1.
What is the InChIKey of 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole?
The InChIKey is OIZMIRIWCQUCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-7(12)11-6-10(14-15-11)8-3-2-4-9(13)5-8/h2-7H,1H3.
What are the key properties of 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole?
5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole has a molecular weight of 242.11 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chloroethyl)-3-(3-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 139270190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).