3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C19H16FN3O2 — CID 4176698

IUPAC3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(F)c1
InChIInChI=1S/C19H16FN3O2/c20-16-7-3-6-14(11-16)17(24)21-19-23-22-18(25-19)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,21,23,24)
InChIKeyWFEMKVDDNYAIHJ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.01
Rot. Bonds3

About 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 4176698) has the molecular formula C19H16FN3O2 and a molecular weight of 337.35 g/mol. Its IUPAC name is 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID4176698
Molecular FormulaC19H16FN3O2
Molecular Weight337.35 g/mol
Exact Mass337.12
IUPAC Name3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESO=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(F)c1
InChIInChI=1S/C19H16FN3O2/c20-16-7-3-6-14(11-16)17(24)21-19-23-22-18(25-19)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,21,23,24)
InChIKeyWFEMKVDDNYAIHJ-UHFFFAOYSA-N
XLogP4.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 4176698) is 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WFEMKVDDNYAIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2/c20-16-7-3-6-14(11-16)17(24)21-19-23-22-18(25-19)15-9-8-12-4-1-2-5-13(12)10-15/h3,6-11H,1-2,4-5H2,(H,21,23,24).
What are the key properties of 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?
3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 337.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 4176698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).