5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one

C14H16FN3O3 — CID 69464738

IUPAC5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(CCc2cc(F)c3c(c2)CC(=O)N3)C(=O)O1
InChIInChI=1S/C14H16FN3O3/c15-11-4-8(3-9-5-12(19)17-13(9)11)1-2-18-7-10(6-16)21-14(18)20/h3-4,10H,1-2,5-7,16H2,(H,17,19)
InChIKeyQPMDUIZYVBKQEC-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.64
Rot. Bonds4

About 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 69464738) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID69464738
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one
SMILESNCC1CN(CCc2cc(F)c3c(c2)CC(=O)N3)C(=O)O1
InChIInChI=1S/C14H16FN3O3/c15-11-4-8(3-9-5-12(19)17-13(9)11)1-2-18-7-10(6-16)21-14(18)20/h3-4,10H,1-2,5-7,16H2,(H,17,19)
InChIKeyQPMDUIZYVBKQEC-UHFFFAOYSA-N
XLogP0.64
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one (CID 69464738) is 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one is NCC1CN(CCc2cc(F)c3c(c2)CC(=O)N3)C(=O)O1.
What is the InChIKey of 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is QPMDUIZYVBKQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-11-4-8(3-9-5-12(19)17-13(9)11)1-2-18-7-10(6-16)21-14(18)20/h3-4,10H,1-2,5-7,16H2,(H,17,19).
What are the key properties of 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 293.30 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[2-(7-fluoro-2-oxo-1,3-dihydroindol-5-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69464738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).