6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide

C19H16FN5O2 — CID 164548765

IUPAC6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)N1C2CCC1c1ccnc(F)c1C2
InChIInChI=1S/C19H16FN5O2/c20-16-14-10-12-6-7-15(13(14)8-9-21-16)25(12)19(26)22-18-24-23-17(27-18)11-4-2-1-3-5-11/h1-5,8-9,12,15H,6-7,10H2,(H,22,24,26)
InChIKeyRGQMNXMVIFKQLF-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.56
Rot. Bonds2

About 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide

6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide (PubChem CID 164548765) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
PubChem CID164548765
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)o1)N1C2CCC1c1ccnc(F)c1C2
InChIInChI=1S/C19H16FN5O2/c20-16-14-10-12-6-7-15(13(14)8-9-21-16)25(12)19(26)22-18-24-23-17(27-18)11-4-2-1-3-5-11/h1-5,8-9,12,15H,6-7,10H2,(H,22,24,26)
InChIKeyRGQMNXMVIFKQLF-UHFFFAOYSA-N
XLogP3.56
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide?
The IUPAC name of 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide (CID 164548765) is 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide.
What is the SMILES notation for 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide?
The canonical SMILES for 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide is O=C(Nc1nnc(-c2ccccc2)o1)N1C2CCC1c1ccnc(F)c1C2.
What is the InChIKey of 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide?
The InChIKey is RGQMNXMVIFKQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-16-14-10-12-6-7-15(13(14)8-9-21-16)25(12)19(26)22-18-24-23-17(27-18)11-4-2-1-3-5-11/h1-5,8-9,12,15H,6-7,10H2,(H,22,24,26).
What are the key properties of 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide?
6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide has a molecular weight of 365.37 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)-5,12-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-12-carboxamide is sourced from PubChem (CID 164548765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).