(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C13H15N3O3 — CID 79524266

IUPAC(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C13H15N3O3/c17-12(15-11-7-19-16-13(11)18)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10-11,14H,5-7H2,(H,15,17)(H,16,18)/t10-,11-/m1/s1
InChIKeyQCGLBBZGPIXXON-GHMZBOCLSA-N
MW261.28 g/mol
LogP-0.75
Rot. Bonds2

About (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 79524266) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID79524266
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(N[C@@H]1CONC1=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C13H15N3O3/c17-12(15-11-7-19-16-13(11)18)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10-11,14H,5-7H2,(H,15,17)(H,16,18)/t10-,11-/m1/s1
InChIKeyQCGLBBZGPIXXON-GHMZBOCLSA-N
XLogP-0.75
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 79524266) is (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(N[C@@H]1CONC1=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is QCGLBBZGPIXXON-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-12(15-11-7-19-16-13(11)18)10-5-8-3-1-2-4-9(8)6-14-10/h1-4,10-11,14H,5-7H2,(H,15,17)(H,16,18)/t10-,11-/m1/s1.
What are the key properties of (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 261.28 g/mol, XLogP of -0.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 79524266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).