2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole

C18H13Cl2N3O2 — CID 23640817

IUPAC2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1(c2nnc(-c3ccccc3)o2)CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C18H13Cl2N3O2/c1-18(17-22-21-16(24-17)11-6-3-2-4-7-11)10-14(23-25-18)15-12(19)8-5-9-13(15)20/h2-9H,10H2,1H3
InChIKeyLQXNQIRECOXQDP-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.08
Rot. Bonds3

About 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole

2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 23640817) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole
PubChem CID23640817
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole
SMILESCC1(c2nnc(-c3ccccc3)o2)CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C18H13Cl2N3O2/c1-18(17-22-21-16(24-17)11-6-3-2-4-7-11)10-14(23-25-18)15-12(19)8-5-9-13(15)20/h2-9H,10H2,1H3
InChIKeyLQXNQIRECOXQDP-UHFFFAOYSA-N
XLogP5.08
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole (CID 23640817) is 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole is CC1(c2nnc(-c3ccccc3)o2)CC(c2c(Cl)cccc2Cl)=NO1.
What is the InChIKey of 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is LQXNQIRECOXQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-18(17-22-21-16(24-17)11-6-3-2-4-7-11)10-14(23-25-18)15-12(19)8-5-9-13(15)20/h2-9H,10H2,1H3.
What are the key properties of 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole?
2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 374.23 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 23640817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).