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

C21H23N3O — CID 75367378

IUPACN-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1
InChIInChI=1S/C21H23N3O/c1-16-7-9-17(10-8-16)11-22-12-19-13-24-14-20(23-21(24)15-25-19)18-5-3-2-4-6-18/h2-10,14,19,22H,11-13,15H2,1H3/t19-/m0/s1
InChIKeyZODFQFFVGHAXBM-IBGZPJMESA-N
MW333.44 g/mol
LogP3.55
Rot. Bonds5

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

N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367378) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367378
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1
InChIInChI=1S/C21H23N3O/c1-16-7-9-17(10-8-16)11-22-12-19-13-24-14-20(23-21(24)15-25-19)18-5-3-2-4-6-18/h2-10,14,19,22H,11-13,15H2,1H3/t19-/m0/s1
InChIKeyZODFQFFVGHAXBM-IBGZPJMESA-N
XLogP3.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367378) is N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is Cc1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is ZODFQFFVGHAXBM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23N3O/c1-16-7-9-17(10-8-16)11-22-12-19-13-24-14-20(23-21(24)15-25-19)18-5-3-2-4-6-18/h2-10,14,19,22H,11-13,15H2,1H3/t19-/m0/s1.
What are the key properties of N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 333.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).