N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

C23H24N4O2 — CID 75367409

IUPACN-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C23H24N4O2/c1-28-22-9-5-3-7-19(22)21-14-27-13-17(29-15-23(27)26-21)12-24-10-16-11-25-20-8-4-2-6-18(16)20/h2-9,11,14,17,24-25H,10,12-13,15H2,1H3/t17-/m0/s1
InChIKeyMNYYMAMTWXTZMF-KRWDZBQOSA-N
MW388.47 g/mol
LogP3.73
Rot. Bonds6

About N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367409) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367409
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCOc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1c[nH]c3ccccc13)C2
InChIInChI=1S/C23H24N4O2/c1-28-22-9-5-3-7-19(22)21-14-27-13-17(29-15-23(27)26-21)12-24-10-16-11-25-20-8-4-2-6-18(16)20/h2-9,11,14,17,24-25H,10,12-13,15H2,1H3/t17-/m0/s1
InChIKeyMNYYMAMTWXTZMF-KRWDZBQOSA-N
XLogP3.73
TPSA64.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine 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

N-[[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 162836771
1-[(6S)-3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1H-indol-3-ylmethyl)methanamine
CID 75367631
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415
N-[(2-chloro-6-methoxyphenyl)methyl]-1-(1H-indol-3-yl)methanamine
CID 103291932
1-(1H-indol-3-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 19626513
2-(1H-indol-3-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 2248968
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480
2-(1H-indol-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 78914442
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 964934

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367409) is N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is COc1ccccc1-c1cn2c(n1)CO[C@@H](CNCc1c[nH]c3ccccc13)C2.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is MNYYMAMTWXTZMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-28-22-9-5-3-7-19(22)21-14-27-13-17(29-15-23(27)26-21)12-24-10-16-11-25-20-8-4-2-6-18(16)20/h2-9,11,14,17,24-25H,10,12-13,15H2,1H3/t17-/m0/s1.
What are the key properties of N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 388.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).