[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate

C16H9Cl2FN2O3 — CID 9414870

IUPAC[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate
SMILESO=C(OCc1nc(-c2ccccc2Cl)no1)c1c(F)cccc1Cl
InChIInChI=1S/C16H9Cl2FN2O3/c17-10-5-2-1-4-9(10)15-20-13(24-21-15)8-23-16(22)14-11(18)6-3-7-12(14)19/h1-7H,8H2
InChIKeyIFXDMJAKHNVBDN-UHFFFAOYSA-N
MW367.16 g/mol
LogP4.54
Rot. Bonds4

About [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate

[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate (PubChem CID 9414870) has the molecular formula C16H9Cl2FN2O3 and a molecular weight of 367.16 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate
PubChem CID9414870
Molecular FormulaC16H9Cl2FN2O3
Molecular Weight367.16 g/mol
Exact Mass366.00
IUPAC Name[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate
SMILESO=C(OCc1nc(-c2ccccc2Cl)no1)c1c(F)cccc1Cl
InChIInChI=1S/C16H9Cl2FN2O3/c17-10-5-2-1-4-9(10)15-20-13(24-21-15)8-23-16(22)14-11(18)6-3-7-12(14)19/h1-7H,8H2
InChIKeyIFXDMJAKHNVBDN-UHFFFAOYSA-N
XLogP4.54
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.16
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluoro-4-methoxybenzoate
CID 8837627
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
CID 18171401
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2,6-difluorobenzoate
CID 32763458
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate
CID 8724558
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2,6-dichlorophenyl)acetate
CID 8013406
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanone
CID 63345476
methyl 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474434
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-chloro-6-fluorobenzoate
CID 9414877
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5,6-dichloropyridine-3-carboxylate
CID 16596052
[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate
CID 41225922
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2,6-dimethoxybenzoate
CID 8513481
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate?
The IUPAC name of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate (CID 9414870) is [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate?
The canonical SMILES for [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate is O=C(OCc1nc(-c2ccccc2Cl)no1)c1c(F)cccc1Cl.
What is the InChIKey of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate?
The InChIKey is IFXDMJAKHNVBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2FN2O3/c17-10-5-2-1-4-9(10)15-20-13(24-21-15)8-23-16(22)14-11(18)6-3-7-12(14)19/h1-7H,8H2.
What are the key properties of [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate?
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate has a molecular weight of 367.16 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 9414870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).