(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde

C17H23N3O2 — CID 174624916

IUPAC(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
SMILESCC(C)(N)Cc1c[nH]c2ccc(C[C@H]3COC(C=O)N3)cc12
InChIInChI=1S/C17H23N3O2/c1-17(2,18)7-12-8-19-15-4-3-11(6-14(12)15)5-13-10-22-16(9-21)20-13/h3-4,6,8-9,13,16,19-20H,5,7,10,18H2,1-2H3/t13-,16?/m0/s1
InChIKeyFFDAKTJOPXUJIY-KNVGNIICSA-N
MW301.39 g/mol
LogP1.50
Rot. Bonds5

About (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde

(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174624916) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
PubChem CID174624916
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
SMILESCC(C)(N)Cc1c[nH]c2ccc(C[C@H]3COC(C=O)N3)cc12
InChIInChI=1S/C17H23N3O2/c1-17(2,18)7-12-8-19-15-4-3-11(6-14(12)15)5-13-10-22-16(9-21)20-13/h3-4,6,8-9,13,16,19-20H,5,7,10,18H2,1-2H3/t13-,16?/m0/s1
InChIKeyFFDAKTJOPXUJIY-KNVGNIICSA-N
XLogP1.50
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
CID 174431068
3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
3,5-bis[[(2R)-3,3-dimethyloxiran-2-yl]methyl]-1H-indole
CID 15765755
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
N,N-dimethyl-2-[5-[[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl]-1H-indol-3-yl]ethanamine oxide
CID 25241756
(4S)-4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrofluoride
CID 71478513
but-2-enedioic acid;4-[[3-[2-(methylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 70195986
2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
CID 20806577
4-[[3-[2-(trideuteriomethylamino)ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one;hydrochloride
CID 154731311
(4S)-4-[[3-[2,2-dideuterio-2-[methyl(trideuteriomethyl)amino]ethyl]-1H-indol-5-yl]methyl]-1,3-oxazolidin-2-one
CID 59719933
1-(6-chloro-5-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 96594113

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde (CID 174624916) is (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde is CC(C)(N)Cc1c[nH]c2ccc(C[C@H]3COC(C=O)N3)cc12.
What is the InChIKey of (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is FFDAKTJOPXUJIY-KNVGNIICSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,18)7-12-8-19-15-4-3-11(6-14(12)15)5-13-10-22-16(9-21)20-13/h3-4,6,8-9,13,16,19-20H,5,7,10,18H2,1-2H3/t13-,16?/m0/s1.
What are the key properties of (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde?
(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 301.39 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174624916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).