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

C21H20ClN3O3 — CID 75411318

IUPACN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-17-8-4-15(5-9-17)21(26)24-10-18-12-25-19(11-23-20(25)13-28-18)14-2-6-16(22)7-3-14/h2-9,11,18H,10,12-13H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLAVZMVXVWMTTAI-SFHVURJKSA-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]-4-methoxybenzamide

N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-methoxybenzamide (PubChem CID 75411318) 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]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-methoxybenzamide
PubChem CID75411318
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]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1
InChIInChI=1S/C21H20ClN3O3/c1-27-17-8-4-15(5-9-17)21(26)24-10-18-12-25-19(11-23-20(25)13-28-18)14-2-6-16(22)7-3-14/h2-9,11,18H,10,12-13H2,1H3,(H,24,26)/t18-/m0/s1
InChIKeyLAVZMVXVWMTTAI-SFHVURJKSA-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]-4-methoxybenzamide?
The IUPAC name of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-methoxybenzamide (CID 75411318) is N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-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]-4-methoxybenzamide?
The canonical SMILES for N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC[C@H]2Cn3c(-c4ccc(Cl)cc4)cnc3CO2)cc1.
What is the InChIKey of N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-methoxybenzamide?
The InChIKey is LAVZMVXVWMTTAI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20ClN3O3/c1-27-17-8-4-15(5-9-17)21(26)24-10-18-12-25-19(11-23-20(25)13-28-18)14-2-6-16(22)7-3-14/h2-9,11,18H,10,12-13H2,1H3,(H,24,26)/t18-/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]-4-methoxybenzamide?
N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-4-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]-4-methoxybenzamide is sourced from PubChem (CID 75411318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).