4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C14H9F2N3O3S — CID 155235659

IUPAC4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H9F2N3O3S/c15-13(16)21-9-5-3-8(4-6-9)11(20)17-14-19-18-12(22-14)10-2-1-7-23-10/h1-7,13H,(H,17,19,20)
InChIKeyAUWIHPNXJDFQDJ-UHFFFAOYSA-N
MW337.31 g/mol
LogP3.65
Rot. Bonds5

About 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 155235659) has the molecular formula C14H9F2N3O3S and a molecular weight of 337.31 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID155235659
Molecular FormulaC14H9F2N3O3S
Molecular Weight337.31 g/mol
Exact Mass337.03
IUPAC Name4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(Nc1nnc(-c2cccs2)o1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H9F2N3O3S/c15-13(16)21-9-5-3-8(4-6-9)11(20)17-14-19-18-12(22-14)10-2-1-7-23-10/h1-7,13H,(H,17,19,20)
InChIKeyAUWIHPNXJDFQDJ-UHFFFAOYSA-N
XLogP3.65
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 155235659) is 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is O=C(Nc1nnc(-c2cccs2)o1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is AUWIHPNXJDFQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O3S/c15-13(16)21-9-5-3-8(4-6-9)11(20)17-14-19-18-12(22-14)10-2-1-7-23-10/h1-7,13H,(H,17,19,20).
What are the key properties of 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 337.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 155235659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).