2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

C11H7Cl2N3O4S — CID 3638452

IUPAC2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nnc(C2=COCCO2)o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-7-3-5(8(13)21-7)9(17)14-11-16-15-10(20-11)6-4-18-1-2-19-6/h3-4H,1-2H2,(H,14,16,17)
InChIKeyPUEUSRGHMLTHDU-UHFFFAOYSA-N
MW348.17 g/mol
LogP3.04
Rot. Bonds3

About 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide

2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (PubChem CID 3638452) has the molecular formula C11H7Cl2N3O4S and a molecular weight of 348.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
PubChem CID3638452
Molecular FormulaC11H7Cl2N3O4S
Molecular Weight348.17 g/mol
Exact Mass346.95
IUPAC Name2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
SMILESO=C(Nc1nnc(C2=COCCO2)o1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2N3O4S/c12-7-3-5(8(13)21-7)9(17)14-11-16-15-10(20-11)6-4-18-1-2-19-6/h3-4H,1-2H2,(H,14,16,17)
InChIKeyPUEUSRGHMLTHDU-UHFFFAOYSA-N
XLogP3.04
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3329824
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,5-dichlorothiophene-3-carboxamide
CID 43972670
2,5-dichloro-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16823622
2,5-dichloro-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide
CID 16854738
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-3-ethylsulfonylbenzamide
CID 7579144
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-fluorobenzamide
CID 43972961
5-chloro-N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2-methoxybenzamide
CID 43973094
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43972843
N-[5-(2,5-dichlorothiophen-3-yl)-1,3,4-oxadiazol-2-yl]-2,5-dimethoxybenzamide
CID 43973071
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-2,5-dichlorothiophene-3-carboxamide
CID 16917381
N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 41085928
3-(benzenesulfonyl)-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]propanamide
CID 43947235

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide (CID 3638452) is 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is O=C(Nc1nnc(C2=COCCO2)o1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
The InChIKey is PUEUSRGHMLTHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O4S/c12-7-3-5(8(13)21-7)9(17)14-11-16-15-10(20-11)6-4-18-1-2-19-6/h3-4H,1-2H2,(H,14,16,17).
What are the key properties of 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide?
2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide has a molecular weight of 348.17 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(2,3-dihydro-1,4-dioxin-5-yl)-1,3,4-oxadiazol-2-yl]thiophene-3-carboxamide is sourced from PubChem (CID 3638452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).