2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole

C16H13FN4O — CID 86271344

IUPAC2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccccc2c2cc(-c3nnco3)cnc21
InChIInChI=1S/C16H13FN4O/c17-6-3-7-21-14-5-2-1-4-12(14)13-8-11(9-18-15(13)21)16-20-19-10-22-16/h1-2,4-5,8-10H,3,6-7H2
InChIKeyDLSKMNBLMRBFPD-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.60
Rot. Bonds4

About 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole

2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole (PubChem CID 86271344) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole
PubChem CID86271344
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole
SMILESFCCCn1c2ccccc2c2cc(-c3nnco3)cnc21
InChIInChI=1S/C16H13FN4O/c17-6-3-7-21-14-5-2-1-4-12(14)13-8-11(9-18-15(13)21)16-20-19-10-22-16/h1-2,4-5,8-10H,3,6-7H2
InChIKeyDLSKMNBLMRBFPD-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-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole (CID 86271344) is 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole is FCCCn1c2ccccc2c2cc(-c3nnco3)cnc21.
What is the InChIKey of 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole?
The InChIKey is DLSKMNBLMRBFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c17-6-3-7-21-14-5-2-1-4-12(14)13-8-11(9-18-15(13)21)16-20-19-10-22-16/h1-2,4-5,8-10H,3,6-7H2.
What are the key properties of 2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole?
2-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-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-[9-(3-fluoropropyl)pyrido[2,3-b]indol-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 86271344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).