3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole

C12H13Cl2NO — CID 138691934

IUPAC3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C12H13Cl2NO/c1-7(2)11-6-10(15-16-11)12-8(13)4-3-5-9(12)14/h3-5,7,11H,6H2,1-2H3
InChIKeyQXEVVMFNHKXWFQ-UHFFFAOYSA-N
MW258.15 g/mol
LogP4.14
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole

3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 138691934) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID138691934
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC(C)C1CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C12H13Cl2NO/c1-7(2)11-6-10(15-16-11)12-8(13)4-3-5-9(12)14/h3-5,7,11H,6H2,1-2H3
InChIKeyQXEVVMFNHKXWFQ-UHFFFAOYSA-N
XLogP4.14
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 54.14
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-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 138691934) is 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole is CC(C)C1CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is QXEVVMFNHKXWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7(2)11-6-10(15-16-11)12-8(13)4-3-5-9(12)14/h3-5,7,11H,6H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
3-(2,6-dichlorophenyl)-5-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 258.15 g/mol, XLogP of 4.14, 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-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 138691934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).