(4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

C25H27N3O2 — CID 44531701

IUPAC(4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC[C@@H]1Cc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C25H27N3O2/c1-27-21(17-30-25(27)29)13-19-7-8-24-22(14-19)23(15-26-24)20-9-11-28(12-10-20)16-18-5-3-2-4-6-18/h2-9,14-15,21,26H,10-13,16-17H2,1H3/t21-/m0/s1
InChIKeyMUXFWYVHZVYMEW-NRFANRHFSA-N
MW401.51 g/mol
LogP4.45
Rot. Bonds5

About (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one

(4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 44531701) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID44531701
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCN1C(=O)OC[C@@H]1Cc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1
InChIInChI=1S/C25H27N3O2/c1-27-21(17-30-25(27)29)13-19-7-8-24-22(14-19)23(15-26-24)20-9-11-28(12-10-20)16-18-5-3-2-4-6-18/h2-9,14-15,21,26H,10-13,16-17H2,1H3/t21-/m0/s1
InChIKeyMUXFWYVHZVYMEW-NRFANRHFSA-N
XLogP4.45
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one (CID 44531701) is (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is CN1C(=O)OC[C@@H]1Cc1ccc2[nH]cc(C3=CCN(Cc4ccccc4)CC3)c2c1.
What is the InChIKey of (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is MUXFWYVHZVYMEW-NRFANRHFSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27-21(17-30-25(27)29)13-19-7-8-24-22(14-19)23(15-26-24)20-9-11-28(12-10-20)16-18-5-3-2-4-6-18/h2-9,14-15,21,26H,10-13,16-17H2,1H3/t21-/m0/s1.
What are the key properties of (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one?
(4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44531701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).