5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole

C16H13Cl2NO — CID 91293008

IUPAC5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1cccc(Cl)c1C1=CC(Cc2ccccc2)ON1
InChIInChI=1S/C16H13Cl2NO/c17-13-7-4-8-14(18)16(13)15-10-12(20-19-15)9-11-5-2-1-3-6-11/h1-8,10,12,19H,9H2
InChIKeyAZEFDVOTKIRADH-UHFFFAOYSA-N
MW306.19 g/mol
LogP4.48
Rot. Bonds3

About 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole

5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 91293008) has the molecular formula C16H13Cl2NO and a molecular weight of 306.19 g/mol. Its IUPAC name is 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID91293008
Molecular FormulaC16H13Cl2NO
Molecular Weight306.19 g/mol
Exact Mass305.04
IUPAC Name5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole
SMILESClc1cccc(Cl)c1C1=CC(Cc2ccccc2)ON1
InChIInChI=1S/C16H13Cl2NO/c17-13-7-4-8-14(18)16(13)15-10-12(20-19-15)9-11-5-2-1-3-6-11/h1-8,10,12,19H,9H2
InChIKeyAZEFDVOTKIRADH-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 90729028
3-(4-Chlorophenyl)-5-[(4-fluorophenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91115766
5-(3,5-dichlorophenyl)-3-phenyl-5-(trifluoromethyl)-2H-1,2-oxazole
CID 123467053
3-[4-(3,5-Dichlorophenyl)-5-(trifluoromethyl)-2,5-dihydro-1,2-oxazol-3-yl]aniline
CID 123818992
N-[1-(2,6-dichlorophenyl)-2,2,2-trifluoroethoxy]aniline
CID 157858945
3-(2,6-Dichlorophenyl)-2,5-dihydro-1,2-oxazole
CID 57245306
N-[1-(2,6-dichlorophenyl)propoxy]aniline
CID 90778315
3-(4-Chlorophenyl)-5-(2-phenylethyl)-2,5-dihydro-1,2-oxazole
CID 90883706
5-Benzyl-3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole
CID 90933052
5-Benzyl-3-phenyl-2,5-dihydro-1,2-oxazole
CID 91068701
3-[5-(2,6-Dichlorophenyl)-2,5-dihydro-1,2-oxazol-3-yl]aniline
CID 91274575
3-(4-Chlorophenyl)-5-[(4-propan-2-ylphenyl)methyl]-2,5-dihydro-1,2-oxazole
CID 91290829

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole (CID 91293008) is 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole is Clc1cccc(Cl)c1C1=CC(Cc2ccccc2)ON1.
What is the InChIKey of 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is AZEFDVOTKIRADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO/c17-13-7-4-8-14(18)16(13)15-10-12(20-19-15)9-11-5-2-1-3-6-11/h1-8,10,12,19H,9H2.
What are the key properties of 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole?
5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 306.19 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(2,6-dichlorophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 91293008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).