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

C21H21F2N3O2 — CID 75367360

IUPACN-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCOc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(F)c(F)c2)C3)cc1
InChIInChI=1S/C21H21F2N3O2/c1-27-16-5-3-15(4-6-16)20-12-26-11-17(28-13-21(26)25-20)10-24-9-14-2-7-18(22)19(23)8-14/h2-8,12,17,24H,9-11,13H2,1H3/t17-/m0/s1
InChIKeyAZCQAMYONSRCHE-KRWDZBQOSA-N
MW385.41 g/mol
LogP3.53
Rot. Bonds6

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

N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine (PubChem CID 75367360) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
PubChem CID75367360
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
SMILESCOc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(F)c(F)c2)C3)cc1
InChIInChI=1S/C21H21F2N3O2/c1-27-16-5-3-15(4-6-16)20-12-26-11-17(28-13-21(26)25-20)10-24-9-14-2-7-18(22)19(23)8-14/h2-8,12,17,24H,9-11,13H2,1H3/t17-/m0/s1
InChIKeyAZCQAMYONSRCHE-KRWDZBQOSA-N
XLogP3.53
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The IUPAC name of 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) is N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is COc1ccc(-c2cn3c(n2)CO[C@@H](CNCc2ccc(F)c(F)c2)C3)cc1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
The InChIKey is AZCQAMYONSRCHE-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-27-16-5-3-15(4-6-16)20-12-26-11-17(28-13-21(26)25-20)10-24-9-14-2-7-18(22)19(23)8-14/h2-8,12,17,24H,9-11,13H2,1H3/t17-/m0/s1.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine?
N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine has a molecular weight of 385.41 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1-[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine is sourced from PubChem (CID 75367360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).