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

C17H12Cl2N4O2 — CID 16745779

IUPAC2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC1(c2nnc(-c3ccncc3)o2)CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C17H12Cl2N4O2/c1-17(16-22-21-15(24-16)10-5-7-20-8-6-10)9-13(23-25-17)14-11(18)3-2-4-12(14)19/h2-8H,9H2,1H3
InChIKeyQNAJKBNKOMOVAK-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.48
Rot. Bonds3

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

2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 16745779) has the molecular formula C17H12Cl2N4O2 and a molecular weight of 375.22 g/mol. Its IUPAC name is 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID16745779
Molecular FormulaC17H12Cl2N4O2
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCC1(c2nnc(-c3ccncc3)o2)CC(c2c(Cl)cccc2Cl)=NO1
InChIInChI=1S/C17H12Cl2N4O2/c1-17(16-22-21-15(24-16)10-5-7-20-8-6-10)9-13(23-25-17)14-11(18)3-2-4-12(14)19/h2-8H,9H2,1H3
InChIKeyQNAJKBNKOMOVAK-UHFFFAOYSA-N
XLogP4.48
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 16745779) is 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is CC1(c2nnc(-c3ccncc3)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-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is QNAJKBNKOMOVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O2/c1-17(16-22-21-15(24-16)10-5-7-20-8-6-10)9-13(23-25-17)14-11(18)3-2-4-12(14)19/h2-8H,9H2,1H3.
What are the key properties of 2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[3-(2,6-dichlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 375.22 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 16745779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).