N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide

C23H26N4O2 — CID 75367428

IUPACN-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-3-7-19(8-4-16)22-14-27-13-21(29-15-23(27)26-22)12-24-11-18-5-9-20(10-6-18)25-17(2)28/h3-10,14,21,24H,11-13,15H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyRKQYCLPYADBVPL-NRFANRHFSA-N
MW390.49 g/mol
LogP3.51
Rot. Bonds6

About N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide

N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide (PubChem CID 75367428) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide
PubChem CID75367428
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)cc1
InChIInChI=1S/C23H26N4O2/c1-16-3-7-19(8-4-16)22-14-27-13-21(29-15-23(27)26-22)12-24-11-18-5-9-20(10-6-18)25-17(2)28/h3-10,14,21,24H,11-13,15H2,1-2H3,(H,25,28)/t21-/m0/s1
InChIKeyRKQYCLPYADBVPL-NRFANRHFSA-N
XLogP3.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide with MolForge

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Related Compounds

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methoxyacetamide
CID 3243507
Imidazopyridine 18c
CID 5329353
Benzimidazole deriv. 6
CID 5329406
methyl N-(4-{6-[(2-methoxyethyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}phenyl)carbamate
CID 23645301
(S)-3-(2-(1-methoxypropan-2-ylamino)pyridin-4-yl)-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 44344609
(2R)-2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]morpholine
CID 57395287
(2R)-2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]morpholine
CID 57402315
N-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 843189
2-ethyl-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 16009114
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)butanamide
CID 20868679
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
CID 20868681
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3,3-dimethylbutanamide
CID 20868683

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide (CID 75367428) is N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC[C@H]2Cn3cc(-c4ccc(C)cc4)nc3CO2)cc1.
What is the InChIKey of N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide?
The InChIKey is RKQYCLPYADBVPL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-3-7-19(8-4-16)22-14-27-13-21(29-15-23(27)26-22)12-24-11-18-5-9-20(10-6-18)25-17(2)28/h3-10,14,21,24H,11-13,15H2,1-2H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide?
N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide has a molecular weight of 390.49 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[(6S)-2-(4-methylphenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 75367428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).