N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C14H10FN3O3S — CID 151168353

IUPACN-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESO=C(NF)c1cccc(OCc2noc(-c3ccsc3)n2)c1
InChIInChI=1S/C14H10FN3O3S/c15-17-13(19)9-2-1-3-11(6-9)20-7-12-16-14(21-18-12)10-4-5-22-8-10/h1-6,8H,7H2,(H,17,19)
InChIKeyNBSYRVVLTMOINN-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.99
Rot. Bonds5

About N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 151168353) has the molecular formula C14H10FN3O3S and a molecular weight of 319.32 g/mol. Its IUPAC name is N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID151168353
Molecular FormulaC14H10FN3O3S
Molecular Weight319.32 g/mol
Exact Mass319.04
IUPAC NameN-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESO=C(NF)c1cccc(OCc2noc(-c3ccsc3)n2)c1
InChIInChI=1S/C14H10FN3O3S/c15-17-13(19)9-2-1-3-11(6-9)20-7-12-16-14(21-18-12)10-4-5-22-8-10/h1-6,8H,7H2,(H,17,19)
InChIKeyNBSYRVVLTMOINN-UHFFFAOYSA-N
XLogP2.99
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 151168353) is N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is O=C(NF)c1cccc(OCc2noc(-c3ccsc3)n2)c1.
What is the InChIKey of N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is NBSYRVVLTMOINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3S/c15-17-13(19)9-2-1-3-11(6-9)20-7-12-16-14(21-18-12)10-4-5-22-8-10/h1-6,8H,7H2,(H,17,19).
What are the key properties of N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 319.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 151168353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).