1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine

C20H19ClFN3O — CID 75411339

IUPAC1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1
InChIInChI=1S/C20H19ClFN3O/c21-16-5-3-15(4-6-16)19-11-24-20-13-26-18(12-25(19)20)10-23-9-14-1-7-17(22)8-2-14/h1-8,11,18,23H,9-10,12-13H2/t18-/m0/s1
InChIKeyDWGBGGGQYDLGHV-SFHVURJKSA-N
MW371.84 g/mol
LogP4.03
Rot. Bonds5

About 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine

1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine (PubChem CID 75411339) has the molecular formula C20H19ClFN3O and a molecular weight of 371.84 g/mol. Its IUPAC name is 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
PubChem CID75411339
Molecular FormulaC20H19ClFN3O
Molecular Weight371.84 g/mol
Exact Mass371.12
IUPAC Name1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
SMILESFc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1
InChIInChI=1S/C20H19ClFN3O/c21-16-5-3-15(4-6-16)19-11-24-20-13-26-18(12-25(19)20)10-23-9-14-1-7-17(22)8-2-14/h1-8,11,18,23H,9-10,12-13H2/t18-/m0/s1
InChIKeyDWGBGGGQYDLGHV-SFHVURJKSA-N
XLogP4.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.84
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine?
The IUPAC name of 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine (CID 75411339) is 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine is Fc1ccc(CNC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1.
What is the InChIKey of 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine?
The InChIKey is DWGBGGGQYDLGHV-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19ClFN3O/c21-16-5-3-15(4-6-16)19-11-24-20-13-26-18(12-25(19)20)10-23-9-14-1-7-17(22)8-2-14/h1-8,11,18,23H,9-10,12-13H2/t18-/m0/s1.
What are the key properties of 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine?
1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine has a molecular weight of 371.84 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine is sourced from PubChem (CID 75411339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).