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

C18H21N5O — CID 75367389

IUPACN-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCn1ccnc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1
InChIInChI=1S/C18H21N5O/c1-22-8-7-20-17(22)10-19-9-15-11-23-12-16(21-18(23)13-24-15)14-5-3-2-4-6-14/h2-8,12,15,19H,9-11,13H2,1H3/t15-/m0/s1
InChIKeyJZYRZFUOSGDSKM-HNNXBMFYSA-N
MW323.40 g/mol
LogP1.97
Rot. Bonds5

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

N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367389) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367389
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCn1ccnc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1
InChIInChI=1S/C18H21N5O/c1-22-8-7-20-17(22)10-19-9-15-11-23-12-16(21-18(23)13-24-15)14-5-3-2-4-6-14/h2-8,12,15,19H,9-11,13H2,1H3/t15-/m0/s1
InChIKeyJZYRZFUOSGDSKM-HNNXBMFYSA-N
XLogP1.97
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367389) is N-[(1-methylimidazol-2-yl)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-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is Cn1ccnc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is JZYRZFUOSGDSKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-22-8-7-20-17(22)10-19-9-15-11-23-12-16(21-18(23)13-24-15)14-5-3-2-4-6-14/h2-8,12,15,19H,9-11,13H2,1H3/t15-/m0/s1.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(1-methylimidazol-2-yl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 323.40 g/mol, XLogP of 1.97, 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-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).