N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

C16H11F2N3O5S — CID 26954542

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESO=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H11F2N3O5S/c17-16(18)25-10-4-3-9(8-11(10)26-16)19-13(22)5-6-21-15(23)24-14(20-21)12-2-1-7-27-12/h1-4,7-8H,5-6H2,(H,19,22)
InChIKeyUALSLNDRIQKXBH-UHFFFAOYSA-N
MW395.34 g/mol
LogP2.92
Rot. Bonds5

About N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (PubChem CID 26954542) has the molecular formula C16H11F2N3O5S and a molecular weight of 395.34 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
PubChem CID26954542
Molecular FormulaC16H11F2N3O5S
Molecular Weight395.34 g/mol
Exact Mass395.04
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
SMILESO=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H11F2N3O5S/c17-16(18)25-10-4-3-9(8-11(10)26-16)19-13(22)5-6-21-15(23)24-14(20-21)12-2-1-7-27-12/h1-4,7-8H,5-6H2,(H,19,22)
InChIKeyUALSLNDRIQKXBH-UHFFFAOYSA-N
XLogP2.92
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-acetyl-2,3-dihydroindol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 24514872
N-(5-methyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 26466699
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 3810645
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 18096150
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 26954496
4-tert-butyl-N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]benzohydrazide
CID 24514379
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 34773509
N-methyl-3-[[2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetyl]amino]benzamide
CID 38136167
N'-[3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 24567891
3-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-oxopropyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94448175

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide (CID 26954542) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is O=C(CCn1nc(-c2cccs2)oc1=O)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
The InChIKey is UALSLNDRIQKXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O5S/c17-16(18)25-10-4-3-9(8-11(10)26-16)19-13(22)5-6-21-15(23)24-14(20-21)12-2-1-7-27-12/h1-4,7-8H,5-6H2,(H,19,22).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide has a molecular weight of 395.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide is sourced from PubChem (CID 26954542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).