4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one

C15H16FN3O2 — CID 122154149

IUPAC4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(CN2CCc3[nH]c4ccc(F)cc4c3C2)CO1
InChIInChI=1S/C15H16FN3O2/c16-9-1-2-13-11(5-9)12-7-19(4-3-14(12)18-13)6-10-8-21-15(20)17-10/h1-2,5,10,18H,3-4,6-8H2,(H,17,20)
InChIKeyIDLPAMQXZYEPEL-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.77
Rot. Bonds2

About 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one

4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 122154149) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID122154149
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(CN2CCc3[nH]c4ccc(F)cc4c3C2)CO1
InChIInChI=1S/C15H16FN3O2/c16-9-1-2-13-11(5-9)12-7-19(4-3-14(12)18-13)6-10-8-21-15(20)17-10/h1-2,5,10,18H,3-4,6-8H2,(H,17,20)
InChIKeyIDLPAMQXZYEPEL-UHFFFAOYSA-N
XLogP1.77
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one (CID 122154149) is 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one is O=C1NC(CN2CCc3[nH]c4ccc(F)cc4c3C2)CO1.
What is the InChIKey of 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is IDLPAMQXZYEPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-9-1-2-13-11(5-9)12-7-19(4-3-14(12)18-13)6-10-8-21-15(20)17-10/h1-2,5,10,18H,3-4,6-8H2,(H,17,20).
What are the key properties of 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one?
4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 289.31 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122154149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).