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

C14H10FN3O2S — CID 42109998

IUPAC4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O2S/c15-10-5-3-9(4-6-10)13(19)16-14-18-17-12(20-14)8-11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19)
InChIKeyQPNDKLVHOLVHCU-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.11
Rot. Bonds4

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

4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 42109998) has the molecular formula C14H10FN3O2S and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID42109998
Molecular FormulaC14H10FN3O2S
Molecular Weight303.32 g/mol
Exact Mass303.05
IUPAC Name4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(Cc2cccs2)o1)c1ccc(F)cc1
InChIInChI=1S/C14H10FN3O2S/c15-10-5-3-9(4-6-10)13(19)16-14-18-17-12(20-14)8-11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19)
InChIKeyQPNDKLVHOLVHCU-UHFFFAOYSA-N
XLogP3.11
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 42109998) is 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is QPNDKLVHOLVHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O2S/c15-10-5-3-9(4-6-10)13(19)16-14-18-17-12(20-14)8-11-2-1-7-21-11/h1-7H,8H2,(H,16,18,19).
What are the key properties of 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 303.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(thiophen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 42109998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).