5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one

C14H17N3O3 — CID 69318976

IUPAC5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)[C@H](N2CC(CN)OC2=O)c2ccccc21
InChIInChI=1S/C14H17N3O3/c1-2-16-11-6-4-3-5-10(11)12(13(16)18)17-8-9(7-15)20-14(17)19/h3-6,9,12H,2,7-8,15H2,1H3/t9?,12-/m1/s1
InChIKeyIOPPASFZMBWXFQ-FFFFSGIJSA-N
MW275.31 g/mol
LogP0.87
Rot. Bonds3

About 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one

5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one (PubChem CID 69318976) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
PubChem CID69318976
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one
SMILESCCN1C(=O)[C@H](N2CC(CN)OC2=O)c2ccccc21
InChIInChI=1S/C14H17N3O3/c1-2-16-11-6-4-3-5-10(11)12(13(16)18)17-8-9(7-15)20-14(17)19/h3-6,9,12H,2,7-8,15H2,1H3/t9?,12-/m1/s1
InChIKeyIOPPASFZMBWXFQ-FFFFSGIJSA-N
XLogP0.87
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one (CID 69318976) is 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one is CCN1C(=O)[C@H](N2CC(CN)OC2=O)c2ccccc21.
What is the InChIKey of 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is IOPPASFZMBWXFQ-FFFFSGIJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-16-11-6-4-3-5-10(11)12(13(16)18)17-8-9(7-15)20-14(17)19/h3-6,9,12H,2,7-8,15H2,1H3/t9?,12-/m1/s1.
What are the key properties of 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one?
5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 275.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-[(3R)-1-ethyl-2-oxo-3H-indol-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 69318976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).