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

C21H22FN3O3S — CID 162808525

IUPAC1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
SMILESCS(=O)(=O)c1ccc(CNCC2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-29(26,27)19-8-2-15(3-9-19)10-23-11-18-13-25-20(12-24-21(25)14-28-18)16-4-6-17(22)7-5-16/h2-9,12,18,23H,10-11,13-14H2,1H3
InChIKeyILONFPYPQDGOKO-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.78
Rot. Bonds6

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

1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine (PubChem CID 162808525) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
PubChem CID162808525
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
SMILESCS(=O)(=O)c1ccc(CNCC2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-29(26,27)19-8-2-15(3-9-19)10-23-11-18-13-25-20(12-24-21(25)14-28-18)16-4-6-17(22)7-5-16/h2-9,12,18,23H,10-11,13-14H2,1H3
InChIKeyILONFPYPQDGOKO-UHFFFAOYSA-N
XLogP2.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-fluorophenyl)methyl]methanamine
CID 75367582
4-chloro-N-[[(6R)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]benzenesulfonamide
CID 75367472
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzenesulfonamide
CID 162900801
1-benzyl-3-[[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]urea
CID 163076154
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 162802327
N-[[(6R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 75367547
1-[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 75367589
1-[(2S)-4-cyclopropylmorpholin-2-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 95347414
1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine
CID 162798715
1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
CID 162798838
1-(8-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 162797887
1-[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N,N-bis[(1-methylindol-3-yl)methyl]methanamine
CID 75367217

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine (CID 162808525) is 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine is CS(=O)(=O)c1ccc(CNCC2Cn3c(-c4ccc(F)cc4)cnc3CO2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
The InChIKey is ILONFPYPQDGOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-29(26,27)19-8-2-15(3-9-19)10-23-11-18-13-25-20(12-24-21(25)14-28-18)16-4-6-17(22)7-5-16/h2-9,12,18,23H,10-11,13-14H2,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine?
1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine has a molecular weight of 415.49 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine is sourced from PubChem (CID 162808525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).