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

C21H20FN3O2 — CID 75367461

IUPACN-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1
InChIInChI=1S/C21H20FN3O2/c22-17-8-6-16(7-9-17)19-12-23-20-14-27-18(13-25(19)20)11-24-21(26)10-15-4-2-1-3-5-15/h1-9,12,18H,10-11,13-14H2,(H,24,26)/t18-/m0/s1
InChIKeyVPCFTQDERPVWOY-SFHVURJKSA-N
MW365.41 g/mol
LogP2.95
Rot. Bonds5

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

N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide (PubChem CID 75367461) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
PubChem CID75367461
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC NameN-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1
InChIInChI=1S/C21H20FN3O2/c22-17-8-6-16(7-9-17)19-12-23-20-14-27-18(13-25(19)20)11-24-21(26)10-15-4-2-1-3-5-15/h1-9,12,18H,10-11,13-14H2,(H,24,26)/t18-/m0/s1
InChIKeyVPCFTQDERPVWOY-SFHVURJKSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-2-phenoxyacetamide
CID 162797907
2-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylcarbamoyl]benzoic acid
CID 75367448
1-[3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]-N-[(4-methylsulfonylphenyl)methyl]methanamine
CID 162808525
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
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-[(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
2-(4-fluorophenyl)-N-[(4-methyl-5-oxomorpholin-2-yl)methyl]acetamide
CID 110710097
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-fluorophenyl)acetamide
CID 90635248
N-[[2-(4-methoxyphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide
CID 162797942
N-[[3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]methanesulfonamide
CID 162802327

Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
The IUPAC name of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide (CID 75367461) is N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide.
What is the SMILES notation for N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
The canonical SMILES for N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1.
What is the InChIKey of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
The InChIKey is VPCFTQDERPVWOY-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20FN3O2/c22-17-8-6-16(7-9-17)19-12-23-20-14-27-18(13-25(19)20)11-24-21(26)10-15-4-2-1-3-5-15/h1-9,12,18H,10-11,13-14H2,(H,24,26)/t18-/m0/s1.
What are the key properties of N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide?
N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide has a molecular weight of 365.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-phenylacetamide is sourced from PubChem (CID 75367461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).