2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole

C17H14FN3O — CID 78425829

IUPAC2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccccc2c2cc(-c3nnco3)ccc21
InChIInChI=1S/C17H14FN3O/c18-8-3-9-21-15-5-2-1-4-13(15)14-10-12(6-7-16(14)21)17-20-19-11-22-17/h1-2,4-7,10-11H,3,8-9H2
InChIKeySAFRFXZGQYNKBK-UHFFFAOYSA-N
MW295.32 g/mol
LogP4.20
Rot. Bonds4

About 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole

2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole (PubChem CID 78425829) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
PubChem CID78425829
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccccc2c2cc(-c3nnco3)ccc21
InChIInChI=1S/C17H14FN3O/c18-8-3-9-21-15-5-2-1-4-13(15)14-10-12(6-7-16(14)21)17-20-19-11-22-17/h1-2,4-7,10-11H,3,8-9H2
InChIKeySAFRFXZGQYNKBK-UHFFFAOYSA-N
XLogP4.20
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole (CID 78425829) is 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole is FCCCn1c2ccccc2c2cc(-c3nnco3)ccc21.
What is the InChIKey of 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
The InChIKey is SAFRFXZGQYNKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-8-3-9-21-15-5-2-1-4-13(15)14-10-12(6-7-16(14)21)17-20-19-11-22-17/h1-2,4-7,10-11H,3,8-9H2.
What are the key properties of 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole?
2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole has a molecular weight of 295.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(3-fluoropropyl)carbazol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 78425829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).