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

C21H20ClN3O3 — CID 162797907

IUPACN-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C21H20ClN3O3/c22-16-8-6-15(7-9-16)19-11-23-20-13-27-18(12-25(19)20)10-24-21(26)14-28-17-4-2-1-3-5-17/h1-9,11,18H,10,12-14H2,(H,24,26)
InChIKeyMVTGINCYHOQNLE-UHFFFAOYSA-N
MW397.86 g/mol
LogP3.30
Rot. Bonds6

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

N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide (PubChem CID 162797907) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide
PubChem CID162797907
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C21H20ClN3O3/c22-16-8-6-15(7-9-16)19-11-23-20-13-27-18(12-25(19)20)10-24-21(26)14-28-17-4-2-1-3-5-17/h1-9,11,18H,10,12-14H2,(H,24,26)
InChIKeyMVTGINCYHOQNLE-UHFFFAOYSA-N
XLogP3.30
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylcarbamoyl]benzoic acid
CID 75367448
N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 75367461
1-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-3-propan-2-ylurea
CID 162798838
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 162802327
2-(4-chlorophenoxy)-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)acetamide
CID 90635233
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-fluorobenzenesulfonamide
CID 162900801
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-dihydro-1H-isochromen-3-ylmethyl)-2-phenoxyacetamide
CID 91626502
N-[[(3S)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750973
N-[[(3R)-3,4-dihydro-1H-isochromen-3-yl]methyl]-2-phenoxyacetamide
CID 100750967
N-[(4-benzylmorpholin-2-yl)methyl]-2-(4-formylphenoxy)acetamide
CID 78789738

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide (CID 162797907) is N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NCC1Cn2c(-c3ccc(Cl)cc3)cnc2CO1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide?
The InChIKey is MVTGINCYHOQNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c22-16-8-6-15(7-9-16)19-11-23-20-13-27-18(12-25(19)20)10-24-21(26)14-28-17-4-2-1-3-5-17/h1-9,11,18H,10,12-14H2,(H,24,26).
What are the key properties of N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide?
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide has a molecular weight of 397.86 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 162797907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).