N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide

C15H5Cl2F6N3O2S — CID 43973097

IUPACN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H5Cl2F6N3O2S/c16-9-4-8(10(17)29-9)12-25-26-13(28-12)24-11(27)5-1-6(14(18,19)20)3-7(2-5)15(21,22)23/h1-4H,(H,24,26,27)
InChIKeyHDEDTOLZCUPQFH-UHFFFAOYSA-N
MW476.19 g/mol
LogP6.39
Rot. Bonds3

About N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide

N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 43973097) has the molecular formula C15H5Cl2F6N3O2S and a molecular weight of 476.19 g/mol. Its IUPAC name is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID43973097
Molecular FormulaC15H5Cl2F6N3O2S
Molecular Weight476.19 g/mol
Exact Mass474.94
IUPAC NameN-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C15H5Cl2F6N3O2S/c16-9-4-8(10(17)29-9)12-25-26-13(28-12)24-11(27)5-1-6(14(18,19)20)3-7(2-5)15(21,22)23/h1-4H,(H,24,26,27)
InChIKeyHDEDTOLZCUPQFH-UHFFFAOYSA-N
XLogP6.39
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.19
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide (CID 43973097) is N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide is O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is HDEDTOLZCUPQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H5Cl2F6N3O2S/c16-9-4-8(10(17)29-9)12-25-26-13(28-12)24-11(27)5-1-6(14(18,19)20)3-7(2-5)15(21,22)23/h1-4H,(H,24,26,27).
What are the key properties of N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide?
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 476.19 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 43973097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).