3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

C13H9Cl2N3O2 — CID 2742677

IUPAC3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1-c1nc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C13H9Cl2N3O2/c1-6-10(7(2)19-17-6)13-16-12(18-20-13)11-8(14)4-3-5-9(11)15/h3-5H,1-2H3
InChIKeyYFSFBDGMWMQJOF-UHFFFAOYSA-N
MW310.14 g/mol
LogP4.32
Rot. Bonds2

About 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole

3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole (PubChem CID 2742677) has the molecular formula C13H9Cl2N3O2 and a molecular weight of 310.14 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
PubChem CID2742677
Molecular FormulaC13H9Cl2N3O2
Molecular Weight310.14 g/mol
Exact Mass309.01
IUPAC Name3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
SMILESCc1noc(C)c1-c1nc(-c2c(Cl)cccc2Cl)no1
InChIInChI=1S/C13H9Cl2N3O2/c1-6-10(7(2)19-17-6)13-16-12(18-20-13)11-8(14)4-3-5-9(11)15/h3-5H,1-2H3
InChIKeyYFSFBDGMWMQJOF-UHFFFAOYSA-N
XLogP4.32
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-3-amine
CID 66200303
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2741597
3-chloro-5-(2,6-dichlorophenyl)-1,2,4-oxadiazole
CID 112572079
3-(2,6-dichlorophenyl)-1,2,4-oxadiazol-5-amine
CID 2726389
5-(2,6-dichlorophenyl)-3-methylsulfanyl-1,2,4-oxadiazole
CID 4097294
5-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-oxadiazole
CID 2742641
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-piperidin-4-yl-1,2,4-oxadiazole
CID 100984757
3-chloro-2-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63722767
3-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-(pyridin-1-ium-1-ylmethyl)-1,2,4-oxadiazole
CID 2781720
[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]phenyl] N,N-dimethylsulfamate
CID 2742689
2-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,3-thiazole-4,5-diol
CID 169239031
[5-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61324775

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole (CID 2742677) is 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole is Cc1noc(C)c1-c1nc(-c2c(Cl)cccc2Cl)no1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is YFSFBDGMWMQJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O2/c1-6-10(7(2)19-17-6)13-16-12(18-20-13)11-8(14)4-3-5-9(11)15/h3-5H,1-2H3.
What are the key properties of 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole?
3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 310.14 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2742677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).