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

C12H11Cl2NO — CID 58979708

IUPAC5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C12H11Cl2NO/c1-7(2)12-15-6-11(16-12)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3
InChIKeyBSTZFGWRXUPIQY-UHFFFAOYSA-N
MW256.13 g/mol
LogP4.77
Rot. Bonds2

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

5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole (PubChem CID 58979708) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole
PubChem CID58979708
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1ncc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C12H11Cl2NO/c1-7(2)12-15-6-11(16-12)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3
InChIKeyBSTZFGWRXUPIQY-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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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole (CID 58979708) is 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole is CC(C)c1ncc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole?
The InChIKey is BSTZFGWRXUPIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c1-7(2)12-15-6-11(16-12)9-4-3-8(13)5-10(9)14/h3-7H,1-2H3.
What are the key properties of 5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole?
5-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-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-(2,4-dichlorophenyl)-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 58979708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).