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

C21H20ClN3O3 — CID 75411319

IUPACN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C21H20ClN3O3/c1-27-19-5-3-2-4-17(19)21(26)24-10-16-12-25-18(11-23-20(25)13-28-16)14-6-8-15(22)9-7-14/h2-9,11,16H,10,12-13H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyCFHZABUXCGBMSM-INIZCTEOSA-N
MW397.86 g/mol
LogP3.54
Rot. Bonds5

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

N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide (PubChem CID 75411319) has the molecular formula C21H20ClN3O3 and a molecular weight of 397.86 g/mol. Its IUPAC name is N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide
PubChem CID75411319
Molecular FormulaC21H20ClN3O3
Molecular Weight397.86 g/mol
Exact Mass397.12
IUPAC NameN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1
InChIInChI=1S/C21H20ClN3O3/c1-27-19-5-3-2-4-17(19)21(26)24-10-16-12-25-18(11-23-20(25)13-28-16)14-6-8-15(22)9-7-14/h2-9,11,16H,10,12-13H2,1H3,(H,24,26)/t16-/m0/s1
InChIKeyCFHZABUXCGBMSM-INIZCTEOSA-N
XLogP3.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.86
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide (CID 75411319) is N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1.
What is the InChIKey of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
The InChIKey is CFHZABUXCGBMSM-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-19-5-3-2-4-17(19)21(26)24-10-16-12-25-18(11-23-20(25)13-28-16)14-6-8-15(22)9-7-14/h2-9,11,16H,10,12-13H2,1H3,(H,24,26)/t16-/m0/s1.
What are the key properties of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide has a molecular weight of 397.86 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 75411319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).