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

C20H20FN3O — CID 75367383

IUPACN-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESFc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1
InChIInChI=1S/C20H20FN3O/c21-18-9-5-4-8-16(18)10-22-11-17-12-24-13-19(23-20(24)14-25-17)15-6-2-1-3-7-15/h1-9,13,17,22H,10-12,14H2/t17-/m0/s1
InChIKeyQUWVDXFBAXAOFM-KRWDZBQOSA-N
MW337.40 g/mol
LogP3.38
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367383) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367383
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESFc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1
InChIInChI=1S/C20H20FN3O/c21-18-9-5-4-8-16(18)10-22-11-17-12-24-13-19(23-20(24)14-25-17)15-6-2-1-3-7-15/h1-9,13,17,22H,10-12,14H2/t17-/m0/s1
InChIKeyQUWVDXFBAXAOFM-KRWDZBQOSA-N
XLogP3.38
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (CID 75367383) is N-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is Fc1ccccc1CNC[C@H]1Cn2cc(-c3ccccc3)nc2CO1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is QUWVDXFBAXAOFM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20FN3O/c21-18-9-5-4-8-16(18)10-22-11-17-12-24-13-19(23-20(24)14-25-17)15-6-2-1-3-7-15/h1-9,13,17,22H,10-12,14H2/t17-/m0/s1.
What are the key properties of N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 337.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).