N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide

C16H11F2N3O2S — CID 90607912

IUPACN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c17-10-4-3-9(7-11(10)18)15(22)19-12-5-6-24-13(12)16-20-14(21-23-16)8-1-2-8/h3-8H,1-2H2,(H,19,22)
InChIKeySEEPNGAJIYXILC-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.21
Rot. Bonds4

About N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide

N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide (PubChem CID 90607912) has the molecular formula C16H11F2N3O2S and a molecular weight of 347.35 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
PubChem CID90607912
Molecular FormulaC16H11F2N3O2S
Molecular Weight347.35 g/mol
Exact Mass347.05
IUPAC NameN-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide
SMILESO=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2N3O2S/c17-10-4-3-9(7-11(10)18)15(22)19-12-5-6-24-13(12)16-20-14(21-23-16)8-1-2-8/h3-8H,1-2H2,(H,19,22)
InChIKeySEEPNGAJIYXILC-UHFFFAOYSA-N
XLogP4.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607906
4-tert-butyl-N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 90607888
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-diethoxybenzamide
CID 90607900
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]pyrimidine-2-carboxamide
CID 90608082
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]cyclopropanecarboxamide
CID 90607872
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]propanamide
CID 90607864
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(2-fluorophenyl)acetamide
CID 90608029
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 90607965
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2-(trifluoromethoxy)benzamide
CID 90608061
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-2,4-dimethoxybenzamide
CID 90607895
1-cyclohexyl-3-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]urea
CID 90608086
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(2-methoxyethyl)urea
CID 90608125

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide (CID 90607912) is N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide is O=C(Nc1ccsc1-c1nc(C2CC2)no1)c1ccc(F)c(F)c1.
What is the InChIKey of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide?
The InChIKey is SEEPNGAJIYXILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O2S/c17-10-4-3-9(7-11(10)18)15(22)19-12-5-6-24-13(12)16-20-14(21-23-16)8-1-2-8/h3-8H,1-2H2,(H,19,22).
What are the key properties of N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide?
N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide has a molecular weight of 347.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 90607912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).