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

C15H16F3N3O2 — CID 75367333

IUPAC1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1cccc(CNC[C@H]2Cn3ccnc3CO2)c1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)23-12-3-1-2-11(6-12)7-19-8-13-9-21-5-4-20-14(21)10-22-13/h1-6,13,19H,7-10H2/t13-/m0/s1
InChIKeyXURPIBYKRRIRGN-ZDUSSCGKSA-N
MW327.31 g/mol
LogP2.47
Rot. Bonds5

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

1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 75367333) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID75367333
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1cccc(CNC[C@H]2Cn3ccnc3CO2)c1
InChIInChI=1S/C15H16F3N3O2/c16-15(17,18)23-12-3-1-2-11(6-12)7-19-8-13-9-21-5-4-20-14(21)10-22-13/h1-6,13,19H,7-10H2/t13-/m0/s1
InChIKeyXURPIBYKRRIRGN-ZDUSSCGKSA-N
XLogP2.47
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 46943825
(6R)-2-nitro-N-[[2-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
CID 137648994
(6R)-2-nitro-N-[[3-(trifluoromethoxy)phenyl]methyl]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
CID 137661480
N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 75367360
1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 75367361
N-[(4-fluorophenyl)methyl]-1-[(6S)-2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 75411308
3-Methyl-1-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperidine
CID 45905770
1-(2-Methoxyethyl)-4-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]piperazine
CID 53531689
N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-(2,2,2-trifluoroethoxy)benzamide
CID 56742089
1-(1H-imidazol-2-ylmethyl)-4-[3-(trifluoromethyl)phenoxy]piperidine
CID 56905139
4-(1-isopropyl-1H-imidazol-2-yl)-1-(3-methoxybenzyl)piperidine
CID 72930628
N-(1,3-benzodioxol-5-ylmethyl)-1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 75367318

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine (CID 75367333) is 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is FC(F)(F)Oc1cccc(CNC[C@H]2Cn3ccnc3CO2)c1.
What is the InChIKey of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is XURPIBYKRRIRGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c16-15(17,18)23-12-3-1-2-11(6-12)7-19-8-13-9-21-5-4-20-14(21)10-22-13/h1-6,13,19H,7-10H2/t13-/m0/s1.
What are the key properties of 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine?
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 327.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 75367333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).