3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole

C13H12Cl2FNO — CID 134400417

IUPAC3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole
SMILESCc1c(-c2c(Cl)cccc2Cl)noc1C(C)(C)F
InChIInChI=1S/C13H12Cl2FNO/c1-7-11(17-18-12(7)13(2,3)16)10-8(14)5-4-6-9(10)15/h4-6H,1-3H3
InChIKeyPYIZULUKYZCLAO-UHFFFAOYSA-N
MW288.15 g/mol
LogP5.16
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole

3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole (PubChem CID 134400417) has the molecular formula C13H12Cl2FNO and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole
PubChem CID134400417
Molecular FormulaC13H12Cl2FNO
Molecular Weight288.15 g/mol
Exact Mass287.03
IUPAC Name3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole
SMILESCc1c(-c2c(Cl)cccc2Cl)noc1C(C)(C)F
InChIInChI=1S/C13H12Cl2FNO/c1-7-11(17-18-12(7)13(2,3)16)10-8(14)5-4-6-9(10)15/h4-6H,1-3H3
InChIKeyPYIZULUKYZCLAO-UHFFFAOYSA-N
XLogP5.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.15
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole (CID 134400417) is 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole is Cc1c(-c2c(Cl)cccc2Cl)noc1C(C)(C)F.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole?
The InChIKey is PYIZULUKYZCLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FNO/c1-7-11(17-18-12(7)13(2,3)16)10-8(14)5-4-6-9(10)15/h4-6H,1-3H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole?
3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole has a molecular weight of 288.15 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-(2-fluoropropan-2-yl)-4-methyl-1,2-oxazole is sourced from PubChem (CID 134400417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).