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

C20H20ClN3O — CID 162798270

IUPACN-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine
SMILESClc1ccc(CNCC2Cn3cc(-c4ccccc4)nc3CO2)cc1
InChIInChI=1S/C20H20ClN3O/c21-17-8-6-15(7-9-17)10-22-11-18-12-24-13-19(23-20(24)14-25-18)16-4-2-1-3-5-16/h1-9,13,18,22H,10-12,14H2
InChIKeyCHLDBUKVOGPUJX-UHFFFAOYSA-N
MW353.85 g/mol
LogP3.89
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine (PubChem CID 162798270) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine
PubChem CID162798270
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine
SMILESClc1ccc(CNCC2Cn3cc(-c4ccccc4)nc3CO2)cc1
InChIInChI=1S/C20H20ClN3O/c21-17-8-6-15(7-9-17)10-22-11-18-12-24-13-19(23-20(24)14-25-18)16-4-2-1-3-5-16/h1-9,13,18,22H,10-12,14H2
InChIKeyCHLDBUKVOGPUJX-UHFFFAOYSA-N
XLogP3.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 75411300
1-[(6S)-2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 75367391
N-[(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methyl]propan-2-amine
CID 163083142
N-[4-[[[(6S)-2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide
CID 75367354
N-[(1-methylindol-3-yl)methyl]-1-[2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methanamine
CID 162798839
N-[[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 162797942
1-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 162892761
1-(4-benzylmorpholin-2-yl)-N-[(4-phenylphenyl)methyl]methanamine
CID 174500358
1-[3-(3-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-(quinolin-3-ylmethyl)methanamine
CID 162798715
N-[(4-chlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 787812
N-[[2-(2-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]acetamide
CID 162836771
1-[(6S)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 75367340

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine (CID 162798270) is N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine is Clc1ccc(CNCC2Cn3cc(-c4ccccc4)nc3CO2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine?
The InChIKey is CHLDBUKVOGPUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-17-8-6-15(7-9-17)10-22-11-18-12-24-13-19(23-20(24)14-25-18)16-4-2-1-3-5-16/h1-9,13,18,22H,10-12,14H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine?
N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine has a molecular weight of 353.85 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2-phenyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl)methanamine is sourced from PubChem (CID 162798270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).