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

C23H23N3O5 — CID 75367540

IUPACN-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1
InChIInChI=1S/C23H23N3O5/c1-28-19-5-3-2-4-17(19)23(27)25-11-16-13-26-18(12-24-22(26)14-31-16)15-6-7-20-21(10-15)30-9-8-29-20/h2-7,10,12,16H,8-9,11,13-14H2,1H3,(H,25,27)/t16-/m0/s1
InChIKeyLBFNJQNQULFZMM-INIZCTEOSA-N
MW421.45 g/mol
LogP2.66
Rot. Bonds5

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

N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide (PubChem CID 75367540) has the molecular formula C23H23N3O5 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide
PubChem CID75367540
Molecular FormulaC23H23N3O5
Molecular Weight421.45 g/mol
Exact Mass421.16
IUPAC NameN-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1
InChIInChI=1S/C23H23N3O5/c1-28-19-5-3-2-4-17(19)23(27)25-11-16-13-26-18(12-24-22(26)14-31-16)15-6-7-20-21(10-15)30-9-8-29-20/h2-7,10,12,16H,8-9,11,13-14H2,1H3,(H,25,27)/t16-/m0/s1
InChIKeyLBFNJQNQULFZMM-INIZCTEOSA-N
XLogP2.66
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide (CID 75367540) is N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1.
What is the InChIKey of N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
The InChIKey is LBFNJQNQULFZMM-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N3O5/c1-28-19-5-3-2-4-17(19)23(27)25-11-16-13-26-18(12-24-22(26)14-31-16)15-6-7-20-21(10-15)30-9-8-29-20/h2-7,10,12,16H,8-9,11,13-14H2,1H3,(H,25,27)/t16-/m0/s1.
What are the key properties of N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide?
N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide has a molecular weight of 421.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(6S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 75367540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).