2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide

C16H10Cl2FN3O3 — CID 154740642

IUPAC2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1OCc1nnc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C16H10Cl2FN3O3/c17-8-3-1-4-9(18)13(8)16-22-21-12(25-16)7-24-11-6-2-5-10(19)14(11)15(20)23/h1-6H,7H2,(H2,20,23)
InChIKeyWOGSSBQKFQRCPR-UHFFFAOYSA-N
MW382.18 g/mol
LogP3.86
Rot. Bonds5

About 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide

2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide (PubChem CID 154740642) has the molecular formula C16H10Cl2FN3O3 and a molecular weight of 382.18 g/mol. Its IUPAC name is 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide
PubChem CID154740642
Molecular FormulaC16H10Cl2FN3O3
Molecular Weight382.18 g/mol
Exact Mass381.01
IUPAC Name2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1OCc1nnc(-c2c(Cl)cccc2Cl)o1
InChIInChI=1S/C16H10Cl2FN3O3/c17-8-3-1-4-9(18)13(8)16-22-21-12(25-16)7-24-11-6-2-5-10(19)14(11)15(20)23/h1-6H,7H2,(H2,20,23)
InChIKeyWOGSSBQKFQRCPR-UHFFFAOYSA-N
XLogP3.86
TPSA91.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzamide
CID 47499607
2-(2-chloro-6-fluorophenyl)-5-ethyl-1,3,4-oxadiazole
CID 71563526
2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790985
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
4-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-methylbutanoic acid
CID 62965353
1-[5-(2-chloro-6-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylmethanamine
CID 62137362
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-6-fluorobenzamide
CID 86790986
2-chloro-6-fluoro-N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 110321097
2-fluoro-6-(3-methyl-2-oxobutoxy)benzamide
CID 79395775
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-fluorobenzamide
CID 110319707
2-[(3-chloro-2-fluorophenyl)methoxy]-6-fluorobenzenecarbothioamide
CID 102855950
2-fluoro-6-(1,2,4-oxadiazol-5-ylmethoxy)benzoic acid
CID 107013857

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide?
The IUPAC name of 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide (CID 154740642) is 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide.
What is the SMILES notation for 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide?
The canonical SMILES for 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide is NC(=O)c1c(F)cccc1OCc1nnc(-c2c(Cl)cccc2Cl)o1.
What is the InChIKey of 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide?
The InChIKey is WOGSSBQKFQRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2FN3O3/c17-8-3-1-4-9(18)13(8)16-22-21-12(25-16)7-24-11-6-2-5-10(19)14(11)15(20)23/h1-6H,7H2,(H2,20,23).
What are the key properties of 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide?
2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide has a molecular weight of 382.18 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2,6-dichlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-6-fluorobenzamide is sourced from PubChem (CID 154740642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).