N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

C19H23N5O — CID 75367434

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccn2C)C3)cc1
InChIInChI=1S/C19H23N5O/c1-14-3-5-15(6-4-14)17-12-24-11-16(25-13-19(24)22-17)9-20-10-18-21-7-8-23(18)2/h3-8,12,16,20H,9-11,13H2,1-2H3/t16-/m0/s1
InChIKeyHCGNNJJRKMKXAV-INIZCTEOSA-N
MW337.43 g/mol
LogP2.28
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine

N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367434) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367434
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccn2C)C3)cc1
InChIInChI=1S/C19H23N5O/c1-14-3-5-15(6-4-14)17-12-24-11-16(25-13-19(24)22-17)9-20-10-18-21-7-8-23(18)2/h3-8,12,16,20H,9-11,13H2,1-2H3/t16-/m0/s1
InChIKeyHCGNNJJRKMKXAV-INIZCTEOSA-N
XLogP2.28
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine with MolForge

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Related Compounds

4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
4-(2-(1H-indol-6-yl)-9H-purin-6-yl)morpholine
CID 46225260
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
4-(2-(4-Fluorophenyl)-7-{[(2-methoxyethyl)methylamino] methyl}imidazo[1,2-a]pyridin-3-yl)pyrimidin-2-ylamine
CID 24887881
4-[2-(4-fluorophenyl)-7-[[methyl(oxolan-2-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-N-[(1S)-1-phenylethyl]pyrimidin-2-amine
CID 44431988
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine
CID 57395287
(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
CID 57402315
7-Methyl-5-morpholino-2-phenylimidazo[1,2-a]pyrimidine
CID 1472740
6-Methyl-3-(morpholinomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 3594650
N-cyclopentyl-7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 856602

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367434) is N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is Cc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2nccn2C)C3)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is HCGNNJJRKMKXAV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-3-5-15(6-4-14)17-12-24-11-16(25-13-19(24)22-17)9-20-10-18-21-7-8-23(18)2/h3-8,12,16,20H,9-11,13H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 337.43 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).