5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole

C12H11Cl2NO — CID 71198283

IUPAC5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C12H11Cl2NO/c1-7(2)11-6-12(16-15-11)8-3-4-9(13)10(14)5-8/h3-7H,1-2H3
InChIKeyMYYNNWMYQALDLQ-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.77
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole

5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole (PubChem CID 71198283) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole
PubChem CID71198283
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2ccc(Cl)c(Cl)c2)on1
InChIInChI=1S/C12H11Cl2NO/c1-7(2)11-6-12(16-15-11)8-3-4-9(13)10(14)5-8/h3-7H,1-2H3
InChIKeyMYYNNWMYQALDLQ-UHFFFAOYSA-N
XLogP4.77
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-Chloro-benzyl)-4-[5-(4-chloro-phenyl)-isoxazol-3-yl]-piperidine
CID 11794570
3-(3-Chlorophenyl)-5-methyl-4-phenyl-1,2-oxazole
CID 44194809
3-(2,5-Dichlorophenyl)-5-methyl-1,2-oxazole
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5-(3,4-Dichlorophenyl)-3-isoxazolemethanol
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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole (CID 71198283) is 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole is CC(C)c1cc(-c2ccc(Cl)c(Cl)c2)on1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole?
The InChIKey is MYYNNWMYQALDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7(2)11-6-12(16-15-11)8-3-4-9(13)10(14)5-8/h3-7H,1-2H3.
What are the key properties of 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole?
5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole has a molecular weight of 256.13 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 71198283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).