2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole

C16H13FN4O — CID 86271251

IUPAC2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccc(-c3nnco3)cc2c2ncccc21
InChIInChI=1S/C16H13FN4O/c17-6-2-8-21-13-5-4-11(16-20-19-10-22-16)9-12(13)15-14(21)3-1-7-18-15/h1,3-5,7,9-10H,2,6,8H2
InChIKeyKCGYFBPOMOPGKT-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.60
Rot. Bonds4

About 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole

2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole (PubChem CID 86271251) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole
PubChem CID86271251
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccc(-c3nnco3)cc2c2ncccc21
InChIInChI=1S/C16H13FN4O/c17-6-2-8-21-13-5-4-11(16-20-19-10-22-16)9-12(13)15-14(21)3-1-7-18-15/h1,3-5,7,9-10H,2,6,8H2
InChIKeyKCGYFBPOMOPGKT-UHFFFAOYSA-N
XLogP3.60
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole (CID 86271251) is 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole is FCCCn1c2ccc(-c3nnco3)cc2c2ncccc21.
What is the InChIKey of 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole?
The InChIKey is KCGYFBPOMOPGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-6-2-8-21-13-5-4-11(16-20-19-10-22-16)9-12(13)15-14(21)3-1-7-18-15/h1,3-5,7,9-10H,2,6,8H2.
What are the key properties of 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole?
2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole has a molecular weight of 296.31 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoropropyl)pyrido[3,2-b]indol-8-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 86271251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).